All Stories

  1. Trinuclear Zinc(II)-Schiff Base Complex: Synthesis, Structural Elucidation, DNA Interactions and Photocatalytic Dye Degradation
  2. Uranine-doped ZIF-8 nanocomposites: A novel sensor for the electrochemical detection of milnacipran
  3. 1,4-Phosphagermines: An Anionic 6π-heteroaromatic Biradicaloid and a Persistent π-Delocalized Radical
  4. Substantial Energies of Stabilization for Hg···S Spodium Bonding Interactions Beyond Standard van der Waals Separations
  5. When CuCl42– and CuBr42– Form Anion···Anion Networks Assembled via Cu···Cl/Br Regium Bonds
  6. A supramolecular coordination polymer incorporating lead(II) perchlorate, amino(pyridin-2-yl)methylenepyridin-1-ium-4-carbohydrazonate and thiocyanate as an auxiliary ligand
  7. Insights from solid state self-assembly of a triazine derivative involving multitude of organic fluorine interactions
  8. Luminescent Liquid-Crystalline J-Aggregate Based on a Columnar Axial Coassembly
  9. Halogen-Bonded Cocrystals for Tunable Phosphorescence Emission of Pt Complexes
  10. Osme Bonds in Molecular Crystals: Structural Insights, Substituent Effects, and Energetic Features
  11. Impact of the Coformer Carbon-Chain Length on the Properties of Haloperidol Pharmaceutical Salts
  12. Phenyl-Substituted Thiaboranes─Linked 2D and 3D Aromatics as Noncovalent Organic Framework Materials
  13. 8-Aminoquinoline-Based Promising Zn Complexes with Dicyanamide and Tricyanomethane Anions: Supramolecular R44(8)/R22(16) Synthons, DFT Rationalization, and Biological Insights
  14. A joint action of coordination, hydrogen and tetrel bonds toward a new 2D coordination polymer of lead(II) perchlorate and N'-isonicotinoylpyrazine-2-carbohydrazonamide
  15. Hydrophilic and hydrophobic interactions in the solid forms of the β-sitosterol cocrystal with propionic acid: A combined experimental and computational study
  16. Synthesis, X-ray characterization, and DFT study of six deferiprone analogues
  17. Inclusion of an Ion Triplet Complex within a Noncovalently Assembled Supramolecular Dimeric Capsular Assembly
  18. A Serendipitous Synthesis of N,N'-Diethyloxamide: Crystallographic and Computational Analysis of its Solid-State Structure
  19. Perfluoroaromatic Bisselanes: From Molecular Design to Supramolecular Architecture Through Tandem σ/π‐hole Interactions
  20. The Role of Chalcogen Bonding in Organic Dichalcogenides of Biological Interest
  21. Supramolecular Assemblies and Anticancer Activities of Aminopyidine-Based Polynuclear and Mononuclear Co(II) Benzoates: Experimental and Theoretical Studies
  22. A novel Co(II) complex with sulfamethoxazole ligand: Isostructuralism, non-covalent interactions, Hirshfeld surfaces, crystal voids and energy calculations
  23. Structural and theoretical insights into the influence of thiocyanate ligands on divalent metal complexes with terpyridine derivatives
  24. Interplay of Tetrel, Hydrogen, and Halogen Bonds in F3GeOCl and HCN Complexes: A Comprehensive Theoretical Study of Dimers, Trimers, and Tetramers
  25. AuIII Acyclic (Amino)(N-Pyridinium)carbenoids: Synthesis via Addition of 2-PySeCl to AuI-Bound Isonitriles, Structures, and Cytotoxicity
  26. Combining Distibene, Diazoolefins, and Visible Light: Synthesis and Reactivity of Inorganic Rings
  27. Interaction of a Novel Dihydroxy Dibenzoazacrown with Different Surfactants: A Physicochemical and Spectroscopic Investigation
  28. Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds
  29. Synthesis, structural characterization, and DFT investigation of a mixed-valence Co(iii)/Co(ii) complex stabilized by supramolecular interactions
  30. 1,3-Dipolar cycloaddition reactions of triflatophosphanes to afford functionalized azaphospholium salts and azaphospholes
  31. Chalcogen bonded metal–organic frameworks: insights from X-ray analysis and theoretical calculations
  32. Exploring coinage bonding interactions in [Au(CN)4]− assemblies with silver and zinc complexes: a structural and theoretical study
  33. Harnessing borane-potassium cooperativity for sulfurated ring-opening copolymerisation
  34. Impact of isomeric ligands on molecular stacking and semiconducting behavior in square planar Ni(ii) complexes
  35. Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses
  36. New salt-solvates of Mirabegron: a combined experimental and computational study
  37. Noble gas bonds facilitate anion⋯anion supramolecular assemblies: insights from CSD and DFT analysis
  38. Simultaneous electron and proton conduction in a stable metal organic material with highly selective electrocatalytic oxygen reduction reaction to water
  39. Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids
  40. Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment
  41. Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions
  42. The matere bond
  43. Tuning luminescence in gold(i)-phosphine complexes: structural, photophysical, and theoretical insights
  44. Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid
  45. Supramolecular Assemblies and Anticancer Activities of Aminopyidine-Based Polynuclear and Mononuclear Co(II) Benzoates: Experimental and Theoretical Studies
  46. Binding of a Co(III) Metalloporphyrin to Amines in Water: Influence of the pKa and Aromaticity of the Ligand, and pH-Modulated Allosteric Effect
  47. Nucleophilicity of the Nitrile N Atom Whose Lone Pair Is Blocked by Metal Coordination. The π-Hole Interaction between an Arene Carbon and the Metal-Bound Nitrile Nitrogen
  48. Magnetic Isolation of the Linear Trinuclear Anion in [Cu(Him)6] {Cu(Him)4[Cu(μ-EDTA)(Him)]2}·6H2O (1) as the Novel Imidazolium(+) Salt (H2im)2[Cu(Him)4{(µ-EDTA)Cu(Him)}2]·2H2O (2)—A Comparative Look to Their Crystal Structures, Thermal, Spectral and Ma...
  49. Zwitterionic 2‐Phosphaethene‐thiolates [(LC)P=CS(LC/P)]+ as PCS Building Blocks (LC=NHC, LP=PR3)
  50. Zwitterionic 2‐Phosphaethene‐thiolates [(LC)P=CS(LC/P)]+ as PCS Building Blocks (LC=NHC, LP=PR3)
  51. Diverse Cyclization Pathways Between Nitriles with Active α-Methylene Group and Ambiphilic 2-Pyridylselenyl Reagents Enabled by Reversible Covalent Bonding
  52. Revisiting Metal Dihalide Complexes with Phosphine Ligands: Isostructurality, Steric Effects, Anagostic Interactions, Crystal Voids, and Energetic Calculations
  53. Synergistic σ/π-Hole Interactions Directing Supramolecular Assembly: Tellurium···Platinum Chalcogen Bonding Enhanced by π-Stacking
  54. Chalcogen Bonding between Tellurium(II) and the Isocyanide Carbon
  55. Magnetic Isolation of the Linear Trinuclear Anion in [Cu(Him)<sub>6</sub>] {μ-Cu(Him)<sub>4</sub>[Cu(EDTA)(Him)]<sub>2</sub>}·6H<sub>2</sub>O (1) as the Novel Imidazolium(+) Salt (H<sub>2</sub>...
  56. Formal Metal-Dependent (M = Pt, Pd) Switching between Arene π-Hole and σ-(Te)-Hole in the Arenetellurium(II) Noncovalent Binding
  57. Novel benzoyl and acetyl pyrazine-2-carbohydrazonamide hybrid derivatives: Experimental and theoretical insights
  58. Synthesis and X-ray characterization of two new 1,4-benzoxazine derivatives: Structural analysis and DFT calculations
  59. Noncoordinating Anions as Key Modulators of Supramolecular Structures, Optical and Electrical Properties in Nickel(II) Complexes
  60. Cover Feature: Tetrel Bond Affects the Self‐Assembly of Acetylcholine and its Analogues and is an Ancillary Interaction in Protein Binding (Chem. Eur. J. 59/2024)
  61. Crystallographic Evidence for Bi(I) as the Heaviest Halogen Bond Acceptor
  62. Unusual Metal–organic Multicomponent Ni(II) and Mononuclear Zn(II) Compounds Involving Pyridine dicarboxylates: Supramolecular Assemblies and Theoretical Studies
  63. Substituent Effect on Regium Bonding in Copper(II) Complexes of 4-Substituted Pyridines: Crystallographic and Computational Study
  64. Supramolecular assemblies involving unusual N(nitrile)∙∙∙π(fum) and nitrile-nitrile non-covalent contacts in fumarato and succinato bridged polymers of Co(II) and Ni(II): Experimental and theoretical studies
  65. Synthesis, Structural Characterization, and Theoretical Analysis of Nonconventional Bonding in Dinuclear Zinc(II) Complexes with Tridentate Schiff Bases
  66. A Nanosized Porous Supramolecular Lead(II)–N′-phenyl(pyridin-2-yl)methylene-N-phenylthiosemicarbazide Aggregate, Obtained Under Electrochemical Conditions
  67. Tetrel Bond Affects the Self‐Assembly of Acetylcholine and its Analogues and is an Ancillary Interaction in Protein Binding
  68. A Tetranuclear copper(II) Complex with a Pyridine‐2,6‐dicarboxamide Ligand: Structural and Magnetic Properties and In vitro Antiproliferative Activity Against Human Cancer Cells
  69. Schottky Device Fabrication of Linear Dicarboxylato-Bridged Mn(II) and Co(II) Coordination Polymers: Experimental and Theoretical Insights
  70. On the Significant Importance of Hg···Cl Spodium Bonding/σ/π-Hole/Noncovalent Interactions and Nanoelectronic/Conductivity Applications in Mercury Complexes: Insights from DFT Spectrum
  71. Unusual Metal-Organic Multicomponent Ni(II) and Mononuclear Zn(II) Compounds Involving Pyridine Dicarboxylates: Supamolecular Assemblies and Theoretical Studies
  72. Synthesis, Reactivity, and Theoretical Insights of Co-Sb2 and Co-Bi2 Rings
  73. Introducing Cationic Selenium-Containing Triazapentadiene Ligand Framework: Synthesis, Coordination Chemistry, and Antifungal Activity
  74. Supramolecular assembly in Cu(II) and Zn(II) compounds with pyridine and anthraquinone-1,5-disulfonate: Experimental and theoretical analysis
  75. On the Existence of Matere Bonds in Pentacoordinated Manganese Complexes: A Combined Experimental and Theoretical Investigation
  76. Light‐Dependent Reactivity of Heavy Pnictogen Double Bonds
  77. Light‐Dependent Reactivity of Heavy Pnictogen Double Bonds
  78. Using Hybrid PDI-Fe3O4 Nanoparticles for Capturing Aliphatic Alcohols: Halogen Bonding vs. Lone Pair–π Interactions
  79. Supramolecular Assemblies in Mn(II) and Zn(II) Metal–Organic Compounds Involving Phenanthroline and Benzoate: Experimental and Theoretical Studies
  80. Synthesis, Structural Characterisation, and Electrochemical Properties of Copper(II) Complexes with Functionalized Thiosemicarbazones Derived from 5-Acetylbarbituric Acid
  81. Silver(I) Octanuclear Complexes Containing N′-(4-Oxotiazolidin-2-Iliden)picolinohydrazonamide and Nitrate as Bridge Ligands. An Example of Solvatomorphism?
  82. Fascinating inclusion of metal–organic complex moieties in dinuclear Mn(II) and Zn(II) compounds involving pyridinedicarboxylates and phenanthroline: Experimental and theoretical studies
  83. Solvent-Induced Polymorphism in a Schiff Base Compound and Their Distinguishing Effects on Semiconducting Behaviors for Utilization in Photosensitive Schottky Devices
  84. Synthesis, Structural Characterization and Electrochemical Properties of Copper(II) Complexes with Functionalized Thiosemicarbazones Derived from 5-Acetylbarbituric Acid
  85. Supramolecular Assemblies in Mn(II) and Zn(II) Metal-Organic Compounds Involving Phenanthroline and Benzoate: Experimental and Theoretical Studies
  86. ‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies
  87. Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies
  88. Halogen Bonding in Stereoselective Metal Chloride (M–Cl) Bond Activation and Transformation to Metal Triiodide (M–I3)
  89. On the Existence of Pnictogen Bonding Interactions in As(III) S‐Adenosylmethionine Methyltransferase Enzymes
  90. Energetic Features of H-bonded and π-stacked Assemblies in Pyrazole-based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies
  91. Investigating Recurrent Matere Bonds in Pertechnetate Compounds
  92. Halogen Bonding as a Supramolecular Modulator of Crystal Packing and Exchange Interactions in Nitronyl Nitroxides
  93. Hybrid 2D Supramolecular Organic Frameworks (SOFs) Assembled by the Cooperative Action of Hydrogen and Halogen Bonding and π⋯π Stacking Interactions
  94. Crystallographic, theoretical and conductivity studies of two new complexes [Ni(II) and Cu(II)] based on mixed ligands approach
  95. One-Dimensional and Two-Dimensional Zn(II) Coordination Polymers with Ditopic Imidazo[1,5-a]pyridine: A Structural and Computational Study
  96. Investigating the Impact of Packing and Environmental Factors on the Luminescence of Pt(N^N^N) Chromophores
  97. Formation of H-bonding networks in the solid state structure of a trinuclear cobalt(iii/ii/iii) complex with N2O2 donor Schiff base ligand and glutaric acid as bridging co-ligand: synthesis, struct...
  98. Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions
  99. The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates
  100. A lead(ii)–N′-isonicotinoylpyrazine-2-carbohydrazonamide complex system as a converter of aerial carbon dioxide to carbonate under electrochemical conditions with the formation of a single-component white light-emitting phosphor
  101. A neutral diphosphene radical: synthesis, electronic structure and white phosphorus activation
  102. A novel approach for estimating the strength of argentophilic and aurophilic interactions using QTAIM parameters
  103. Aerial carbon dioxide conversion to carbonate mediated by a lead(ii) complex with tridentate bipyridine containing a hydrazide ligand under electrochemical conditions yielding single-component white-light-emitting phosphors
  104. Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide
  105. CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates
  106. Effect of substituents on the 1O2 production and biological activity of (N^N^N)Pt(py) complexes
  107. Impact of halogen⋯halogen interaction on the mechanical motion of a 3D Pb(ii) coordination polymer of elusive topology
  108. Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study
  109. Internal Coulombic assistance in intermolecular frustrated Lewis pair activation of dihydrogen
  110. Interplay of a nitro group and metal ions: from coordinative binding to noncovalent semicoordination
  111. Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate
  112. Magnetic study and DFT analysis of a doubly carboxylato-bridged Co(ii) derivative anchored with a ‘scorpionate’ precursor as a potential electrocatalyst for heterogeneous H2 evolution
  113. N-Confused strapped calix[4]pyrrole: the missing member of calix[4]pyrrole chemistry
  114. On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives
  115. Reaction contest: hydrolysis versus intramolecular cyclisation reaction in alkyl squaramate esters
  116. Shift of the reduction potential of nickel(ii) Schiff base complexes in the presence of redox innocent metal ions
  117. Shortening CN⋯Br–Csp3 halogen bonds via π-stacking
  118. Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands
  119. Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors
  120. Te⋯I secondary-bonding interactions in crystals containing tellurium(ii), tellurium(iv) and iodide atoms: supramolecular aggregation patterns, nature of the non-covalent interactions and energy considerations
  121. Substituent Effect on Chalcogen Bonding in 5-Substituted Benzo[c][1,2,5]selenadiazoles and Their Copper(II) Complexes: Experimental and Theoretical Study
  122. Experimental and Theoretical Survey of Intramolecular Spodium Bonds/σ/π-Holes and Noncovalent Interactions in Trinuclear Zn(II)-Salen Type Complex with OCN– Ions: A Holistic View in Crystal Engineering
  123. Chalcogen and Hydrogen Bond Team up in Driving Anion⋅⋅⋅Anion Self‐Assembly
  124. Triiodide-Based Chair-Like Copper Complex Assembled by Halogen Bonding
  125. Cover Feature: Hg(II)⋅d8[M] Interactions: Are they Metallophilic Interactions or Spodium Bonds? (ChemPhysChem 24/2023)
  126. Supramolecular Nature of Multicomponent Crystals Formed from 2,2′-Thiodiacetic Acid with 2,6-Diaminopurine or N9-(2-Hydroxyethyl)adenine
  127. A Computational Chemistry Investigation of the Influence of Steric Bulk of Dithiocarbamato-Bound Organic Substituents upon Spodium Bonding in Three Homoleptic Mercury(II) Bis(N,N-dialkyldithiocarbamato) Compounds for Alkyl = Ethyl, Isobutyl, and Cycloh...
  128. Supramolecular Nature of Multicomponent Crystals Formed from 2,2’‐thiodiacetic acid with 2,6‐diaminopurine or N9‐(2‐Hydroxyethyl)adenine
  129. Spodium Bonds Involving Methylmercury and Ethylmercury in Proteins: Insights from X-ray Analysis and Computations
  130. Tuning the Nucleophilicity and Electrophilicity of Group 10 Elements through Substituent Effects: A DFT Study
  131. Hg(II)⋅d8[M] Interactions: Are they Metallophilic Interactions or Spodium Bonds?
  132. Pd(II)-Mediated Activation of Halonitriles in Different Solvents: Role of Noncovalent Interactions and Isolation of a Pd(0)/Pd(II) Complex
  133. Push–Pull and Conventional Nitriles as Halogen Bond Acceptors in Their Cocrystals with Iodo-Substituted Perfluorobenzenes
  134. Cover Feature: Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron‐Density Acceptors (Chem. Eur. J. 60/2023)
  135. Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron‐Density Acceptors**
  136. Chalcogen Bonding in the Decoration of the Secondary Coordination Sphere of Copper(II) Complexes: Activation of Nitriles, the Auxiliary Ligand Substituent Effect
  137. H(N3)dap (Hdap = 2,6-Diaminopurine) Recognition by Cu2(EGTA): Structure, Physical Properties, and Density Functional Theory Calculations of [Cu4(μ-EGTA)2(μ-H(N3)dap)2(H2O)2]·7H2O
  138. Fluorogenic In Situ Thioacetalization: Expanding the Chemical Space of Fluorescent Probes, Including Unorthodox, Bifurcated, and Mechanosensitive Chalcogen Bonds
  139. H(N3)dap (Hdap = 2,6-diaminopurine) Recognition by Cu<sub>2</sub>(EGTA): Structure, Physical Properties and DFT-Calculations of [Cu<sub>4</sub>(μ-EGTA)<sub>2</sub>(μ-H(N3)dap)<sub>2</sub>(H<sub>2<...
  140. The Copper(II)-Thiodiacetate (tda) Chelate as Efficient Receptor of N9-(2-Hydroxyethyl)Adenine (9heade): Synthesis, Molecular and Crystal Structures, Physical Properties and DFT Calculations of [Cu(tda)(9heade)(H2O)]·2H2O
  141. Isocyanide π-Hole Interactions Supported by Aurophilic Forces
  142. Isocyanide π-Hole Interactions Supported by Aurophilic Forces
  143. Halogen Bonding Assembles Anion⋅⋅⋅Anion Architectures in Non‐centrosymmetric Iodate and Bromate Crystals
  144. Combined σ- and π-Hole Donor Properties of Perfluorinated Iodo(or bromo)benzenes: Halogen Bonding and π-Hole Interactions in Cocrystals Including Cu4I4 Clusters
  145. The copper(II)-Thiodiacetate (Tda) Chelate As Efficient Receptor of N9-(2-Hydroxyethyl)adenine (9heade). Synthesis, Molecular and Crystal Structures, Physical Properties and Dft Calculations of [Cu(tda)(9heade)(H2O)]·2H2O
  146. On the Importance of H-Bonding Interactions in the Enclathration of Boric Acids in Na(I) Polymers: Experimental and Theoretical Studies
  147. Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies
  148. Chalcogen Bonds, Halogen Bonds and Halogen···Halogen Contacts in Di- and Tri-iododiorganyltellurium(IV) Derivatives
  149. Ligand and Gold(I) Fluorescein–AIEgens as Photosensitizers in Solution and Doped Polymers
  150. Crystallographic Aspects, Photophysical Properties, and Theoretical Survey of Tetrachlorometallates of Group 12 Metals [Zn(II), Cd(II), and Hg(II)] with a Triply Protonated 2,4,6-Tris(2-pyridyl)-1,3,5-triazine Ligand
  151. Hydrogen Bonding, π‐Stacking, and Aurophilic Interactions in Two Dicyanoaurate(I)‐Based Manganese(II) Complexes with Auxiliary Bis‐Pyridine Ligands
  152. Cationic Phosphinidene as a Versatile P1 Building Block: [LC–P]+ Transfer from Phosphonio–Phosphanides [LC–P–PR3]+ and Subsequent LC Replacement Reactions (LC = N-H...
  153. Regium−π Bonds Involving Nucleobases: Theoretical Study and Biological Implications
  154. Computational Study of Driving Forces in ATSP, PDIQ, and P53 Peptide Binding: C═O···C═O Tetrel Bonding Interactions at Work
  155. Noncovalent Chelation by Halogen Bonding in the Design of Metal-Containing Arrays: Assembly of Double σ-Hole Donating Halolium with CuI-Containing O,O-Donors
  156. Benzothienoiodolium Cations Doubly Bonded to Anions via Halogen–Chalcogen and Halogen–Hydrogen Supramolecular Synthons
  157. Cooperative Ternary Assemblies Involving Anion–π/π–π/Anion–π Assemblies and Unconventional Cl⋯Cl Interactions in Cu(II) Coordination Compounds: Experimental and Theoretical Studies
  158. The Origin of Anion−π Autocatalysis
  159. A Comprehensive Ab Initio Study of Halogenated A···U and G···C Base Pair Geometries and Energies
  160. Novel Chalcogen Bond Donors Derived from [3+2] Cycloaddition Reaction between 2-Pyridylselenyl Reagents and Isocyanates: Synthesis, Structures and Theoretical Studies
  161. Cocrystallization of Antifungal Compounds Mediated by Halogen Bonding
  162. Substituent Effects in Tetrel Bonds Involving Aromatic Silane Derivatives: An ab initio Study
  163. Halogen Bond‐Involving Supramolecular Assembly Utilizing Carbon as a Nucleophilic Partner of I⋅⋅⋅C Non‐covalent Interaction
  164. Rational Coformer Selection in the Development of 6-Propyl-2-Thiouracil Pharmaceutical Cocrystals
  165. Unconventional Dual Donor-Acceptor Topologies of Aromatic Rings in Amine-Based Polymeric Tetrahedral Zn(II) Compounds Involving Unusual Non-Covalent Contacts: Antiproliferative Evaluation and Theoretical Studies
  166. Square Planar Pt(II) Ion as Electron Donor in Pnictogen Bonding Interactions
  167. Geminal Charge-Assisted Tetrel Bonds in Bis-Pyridinium Methylene Salts
  168. Experimental and Theoretical Study of Tetrel Bonding and Noncovalent Interactions in Hemidirected Lead(II) Phosphorodithioates: An Implication on Crystal Engineering
  169. Supramolecular assemblies involving energetically significant unconventional π(CN)-π and anion-π(nitrile) contacts in Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies
  170. Cooperativity effects in a new pterostilbene/phenanthroline cocrystal
  171. Supramolecular Assemblies in Pyridine- and Pyrazole-Based Coordination Compounds of Co(II) and Ni(II): Characterization, Hirshfeld Analysis and Theoretical Studies
  172. Matere Bonds in Technetium Compounds: CSD Survey and Theoretical Considerations
  173. Se⋯π Chalcogen Bonding in 1,2,4-Selenodiazolium Tetraphenylborate Complexes
  174. Designing of a Zn(ii)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity
  175. Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine
  176. σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(vii)
  177. σ-Hole triel bonds in aluminium derivatives
  178. Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs
  179. An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices
  180. Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study
  181. Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study
  182. Halogen bonding between metal-bound I3− and unbound I2: the trapped I2⋯I3− intermediate in the controlled assembly of copper(i)-based polyiodides
  183. Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand
  184. Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials
  185. Group-10 π-hole⋯dz2[MII] interactions: a theoretical study of model systems inspired by CSD structures
  186. Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid
  187. Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles
  188. A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking
  189. An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands
  190. Fabrication of Schottky barrier diodes utilizing carboxylate bridged trinuclear mixed valence cobalt(iii/ii/iii) complexes of tetradentate N2O2donor reduced Schiff base ligands
  191. Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces
  192. The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands
  193. An experimental and computational investigation of the elusive anhydrous form of Oxyma-B
  194. Biological noncovalent N/O⋯V interactions: insights from theory and protein data bank analyses
  195. Capturing volatile organic compounds using Ag and Au nanoparticles: regium–π and C–H⋯Ag/Au interactions at work
  196. Chalcogen bonding in copper(ii)-mediated synthesis
  197. Columnar liquid-crystalline J-aggregates based on N-core-substituted naphthalene diimides
  198. Enzymatic reversion of Pt(ii) nucleophilicity through charge dumping: the case of Pt(CN)42−
  199. Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals
  200. Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding
  201. Spodium, halogen and hydrogen bonds in the reactivity of bis(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-Zn(ii)
  202. Sulfate-induced large amplitude conformational change in a Solomon link
  203. Supramolecular aggregation featuring Hg⋯S secondary-bonding interactions in crystals of mercury(ii) species augmented by computational chemistry calculations
  204. Supramolecular luminescent Pt(ii) tweezers: aggregation studies and 1O2 production
  205. Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination
  206. Synthesis, X-ray characterization and DFT analysis of dicyanidoaurate telluronium salts: on the importance of charge assisted chalcogen bonds
  207. Tetrel bonds involving a CF3 group participate in protein–drug recognition: a combined crystallographic and computational study
  208. Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds
  209. Interchangeability and Disorder in the Solid‐State Structures of “Two Wall” Calix[4]pyrroles Equipped with Iodine and Ethynyl para ‐Substituents
  210. A Tetranuclear Ni(II)-Cubane Cluster Molecule Build by Four µ3-O-Methanolate (MeO) Ligands, Externally Cohesive by Four Unprecedented Bridging µ2-N7,O6-Acyclovirate (acv-H) Anions
  211. Selenoxides as Excellent Chalcogen Bond Donors: Effect of Metal Coordination
  212. Crystal Engineering of Pb(II)-Salen Coordination Polymer Enforced for The Selective Fluorescence NACs Sensing Activity in a Dispersed Aqueous Medium: A Combined Experimental and Theoretical DFT Monologue
  213. Robust Supramolecular Dimers Derived from Benzylic-Substituted 1,2,4-Selenodiazolium Salts Featuring Selenium⋯π Chalcogen Bonding
  214. Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity
  215. Pnictogen‐Bonding Catalysts, Compared to Tetrel‐Bonding Catalysts: More Than Just Weak Lewis Acids
  216. Stacking Interactions: A Supramolecular Approach to Upgrade Weak Halogen Bond Donors
  217. Dual-Ligand Strategy Employing Rigid 2,5-Thiophenedicarboxylate and 1,10-Phenanthroline as Coligands for Solvothermal Synthesis of Eight Lanthanide(III) Coordination Polymers: Structural Diversity, DFT Study, and Exploration of the Luminescent Tb(III) ...
  218. Dicarboxylic Acid-Based Co-Crystals of Pyridine Derivatives Involving Structure Guiding Unconventional Synthons: Experimental and Theoretical Studies
  219. Exploration of supramolecular and theoretical aspects of two new Cu(II) complexes: On the importance of lone pair···π(chelate ring) and π···π(chelate ring) interactions
  220. Anion···Anion [AuI4]−···[AuI2]− Complex Trapped in the Solid State by Tetramethylammonium Cations
  221. Synthesis and X‐ray Characterization of 4,5‐Dihydropyrazolyl‐Thiazoles Bearing a Coumarin Moiety: On the Importance of Antiparallel π‐Stacking
  222. Crystallographic and Theoretical Study of Osme Bonds in Nitrido-Osmium(VI) Complexes
  223. Isocyanide and Cyanide Entities Form Isostructural Halogen Bond-Based Supramolecular Networks Featuring Five-Center Tetrafurcated Halogen···C/N Bonding
  224. Benzene, an Unexpected Binding Unit in Anion–π Recognition: The Critical Role of CH/π Interactions
  225. Halogen···Halogen and π–Hole Interactions in Supramolecular Aggregates and Electrical Conductivity Properties of Cu(II)-Based 1D Coordination Polymers
  226. Investigation of solid state architectures in tetrazolyl tryptophol stabilized by crucial aromatic interactions and hydrogen bonding: Experimental and theoretical analysis
  227. The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative
  228. DFT–Assisted Structure Determination from Powder X-ray Diffraction Data of a New Zonisamide/ϵ-Caprolactam Cocrystal
  229. Noncovalent Interactions Involving Group 6 in Biological Systems: The Case of Molybdopterin and Tungstopterin Cofactors
  230. Revision of the Crystal Structure of the Orthorhombic Polymorph of Oxyma: On the Importance of π–Hole Interactions and Their Interplay with H–Bonds
  231. Towards Anion Recognition and Precipitation with Water-Soluble 1,2,4-Selenodiazolium Salts: Combined Structural and Theoretical Study
  232. Role of Redox-Inactive Metal Ions in Modulating the Reduction Potential of Uranyl Schiff Base Complexes: Detailed Experimental and Theoretical Studies
  233. Cover Feature: Substituent Effects in π‐Hole Regium Bonding Interactions Between Au( p ‐X‐Py) 2 Complexes and Lewis Bases: An ab initio Study (ChemPhysChem...
  234. Metal Coordination Enhances Chalcogen Bonds: CSD Survey and Theoretical Calculations
  235. Direct conversion of white phosphorus to versatile phosphorus transfer reagents via oxidative onioation
  236. Substituent Effects in π‐Hole Regium Bonding Interactions Between Au( p ‐X‐Py) 2 Complexes and Lewis Bases: An ab initio Study
  237. Anion-Responsive Fluorescent Supramolecular Gels
  238. Topochemical [2 + 2] Cycloaddition in a Two-Dimensional Metal–Organic Framework via SCSC Transformation Impacts Halogen···Halogen Interactions
  239. Anion–π Catalysis Enabled by the Mechanical Bond**
  240. Anion–π Catalysis Enabled by the Mechanical Bond**
  241. Multicomponent Solids of DL-2-Hydroxy-2-phenylacetic Acid and Pyridinecarboxamides
  242. Aza-Crown-Based Macrocyclic Probe Design for “PET-off” Multi-Cu2+ Responsive and “CHEF-on” Multi-Zn2+ Sensor: Application in Biological Cell Imaging and Theoretical Studies
  243. Frontispiece: Metal Centers as Nucleophiles: Oxymoron of Halogen Bond‐Involving Crystal Engineering
  244. Oxalic Acid, a Versatile Coformer for Multicomponent Forms with 9-Ethyladenine
  245. Large interaction energy for the homodimer and the heterodimer extracted from the supramolecular chain of a bent trinuclear zinc(ii) complex with a reduced Schiff base ligand
  246. An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations
  247. Host–guest complexes vs. supramolecular polymers in chalcogen bonding receptors: an experimental and theoretical study
  248. Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands
  249. Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions
  250. Chameleonic metal-bound isocyanides: a π-donating CuI-center imparts nucleophilicity to the isocyanide carbon toward halogen bonding
  251. Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}n assemblies and unconventional layered infinite {...
  252. Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical ...
  253. Synthesis, spectroscopic findings and crystal engineering of Pb(ii)–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation
  254. Insight into charge transportation in cadmium based semiconducting organic–inorganic hybrid materials and their application in the fabrication of photosensitive Schottky devices
  255. Combined crystallographic and computational investigation of the solvent disorder present in a new tipiracil hydrochloride methanol solvate–hydrate
  256. Do 2-coordinate iodine(i) and silver(i) complexes form nucleophilic iodonium interactions (NIIs) in solution?
  257. Enhancing chalcogen bonding by metal coordination
  258. Inorganic–organic {dz2-MIIS4}⋯π-hole stacking in reverse sandwich structures: the case of cocrystals of group 10 metal dithiocarbamates with electron-deficient arenes
  259. Iodine(i) complexes incorporating sterically bulky 2-substituted pyridines
  260. Metallophilic interactions in silver(i) dicyanoaurate complexes
  261. Static discrete disorder in the crystal structure of iododiflunisal: on the importance of hydrogen bond, halogen bond and π-stacking interactions
  262. Expanding the toolbox of the coinage bond: adducts involving new gold(iii) derivatives and bioactive molecules
  263. On metal coordination of neutral open-shell P-ligands focusing on phosphanoxyls, their electron residence and reactivity
  264. Insight into non-covalent interactions in a [Cu(N3)4]2− bridged hetero-pentanuclear copper(ii)/sodium complex with special emphasis on the strong CH⋯π[Cu(N3)4] interactions
  265. Hydrogen and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights
  266. On the energetic stability of halogen bonds involving metals: implications in crystal engineering
  267. Centroid⋯centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines
  268. Combined computational/experimental investigation of new cocrystals of the drug bosentan
  269. Periodate anions as a halogen bond donor: formation of anion⋯anion dimers and other adducts
  270. Unprecedented {dz2-CuIIO4}⋯π-hole interactions: the case of a cocrystal of a Cu(ii) bis-β-diketonate complex with 1,4-diiodotetrafluoro-benzene
  271. Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6 : 7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group
  272. Fumarato and phthalato bridged dinuclear metal–organic Cu(ii) and Mn(ii) compounds involving infinite fumarate–water assemblies and unusual structure-guiding H-bonded synthons: antiproliferative evaluation and theoretical studies
  273. Heterovalent chalcogen bonding: supramolecular assembly driven by the occurrence of a tellurium(ii)⋯Ch(i) (Ch = S, Se, Te) linkage
  274. On the importance of π-stacking interactions in the complexes of copper and zinc bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands
  275. Supramolecular gold(i) vesicles: an in-depth study of their aggregation process
  276. Importance of Cu and Ag regium–π bonds in supramolecular chemistry and biology: a combined crystallographic and ab initio study
  277. The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering
  278. Polymorphism in the 1/1 Pterostilbene/Picolinic Acid Cocrystal
  279. Novel Polymorphic Cocrystals of the Non-Steroidal Anti-Inflammatory Drug Niflumic Acid: Expanding the Pharmaceutical Landscape
  280. Metalloid Chalcogen–pnictogen σ-hole bonding competition in stibanyl telluranes
  281. On the Importance of Pnictogen and Chalcogen Bonding Interactions in Supramolecular Catalysis
  282. On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms
  283. Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study
  284. Metal Centers as Nucleophiles: Oxymoron of Halogen Bond‐Involving Crystal Engineering
  285. On the Importance of σ–Hole Interactions in Crystal Structures
  286. Uracil Derivatives for Halogen-Bonded Cocrystals
  287. An insight into the supramolecular interactions in two linear polyvanadates
  288. Importance of Anion−π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study
  289. Anion⋅⋅⋅Anion Interactions Involving σ‐Holes of Perrhenate, Pertechnetate and Permanganate Anions
  290. Unconventional π-hole and Semi-coordination regium bonding interactions directed supramolecular assemblies in pyridinedicarboxylato bridged polymeric Cu(II) Compounds: Antiproliferative evaluation and theoretical studies
  291. Charge Assisted S/Se Chalcogen Bonds in SAM Riboswitches: A Combined PDB and ab Initio Study
  292. Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements
  293. Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements
  294. Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function
  295. Diaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving μ3-I···(Cl,Cl,Pt) Halogen Bond
  296. 1-Ethyluracil, a New Scaffold for Preparing Multicomponent Forms: Synthesis, Characterization, and Computational Studies
  297. Diastereoselective Amplification of a Mechanically Chiral [2]Catenane
  298. Ligand Steric Hindrances Switch Bridging (μ2-I)···O,O to Two-Center I···O Halogen-Bonding Mode in the Assembly of Diketonate Copper(II) Species
  299. Anion⋅⋅⋅Anion Coinage Bonds: The Case of Tetrachloridoaurate
  300. Anion⋅⋅⋅Anion Coinage Bonds: The Case of Tetrachloridoaurate
  301. Dicopper(II)-EDTA Chelate as a Bicephalic Receptor Model for a Synthetic Adenine Nucleoside
  302. Spodium bonding and other non-covalent interactions assisted supramolecular aggregation in a new mercury(II) complex of a nicotinohydrazide derivative
  303. Azine Steric Hindrances Switch Halogen Bonding to N ‐Arylation upon Interplay with σ‐Hole Donating Haloarenenitriles
  304. Using Room Temperature Phosphorescence of Gold(I) Complexes for PAHs Sensing
  305. Utility of Three-Coordinate Silver Complexes Toward the Formation of Iodonium Ions
  306. Weak Interactions in Cocrystals of Isoniazid with Glycolic and Mandelic Acids
  307. Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor
  308. Ligand structure-driven self-assembly of Zn(NCS)2 with a carbohydrazone ligand: A possible intermediate towards a [2 × 2] metallic grid
  309. A new coordination polymer constructed from Pb(NO3)2 and a benzylideneisonicotinohydrazide derivative: coordination-induced generation of a π-hole towards a tetrel-bonding stabilized structure
  310. An insight to the spin density distribution and non-covalent interactions in a carboxylate bridged class-I mixed valence cobalt(II),cobalt(III) complex of quadruplet nature
  311. H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ4-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate
  312. Energetically significant nitrile⋯nitrile and unconventional C–H⋯π(nitrile) interactions in pyridine based Ni(II) and Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies
  313. A supramolecular 3D structure constructed from a new metal chelate self-assembled from Sn(NCS)2 and phenyl(pyridin-2-yl)methylenepicolinohydrazide
  314. An insight into the role of supramolecular interactions to stabilize the solid state structure of an octahedral nickel(II) diamine complex
  315. Semiconducting properties of pyridyl appended linear dicarboxylate based coordination polymers: theoretical predictionviaDFT study
  316. A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex
  317. Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight
  318. Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding
  319. Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain
  320. Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction
  321. A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations
  322. Biologically relevant and energetically significant cooperative ternary (π–π)2/(π–π)1/(π–π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(
  323. Molecular 1,1′-bifunctional mixed-valence P–P compounds, enabled through metal complexation
  324. Supramolecular network of a framework material supported by the anion–π linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights
  325. A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex
  326. Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes
  327. On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand
  328. Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions
  329. A convenient access to fluorophosphonium triflate salts by electrophilic fluorination and anion exchange
  330. A homonuclear π-system with a singlet carbene-type α and a nucleophilic β phosphorus – the first use in P-heterocyclic synthesis
  331. An experimental and theoretical exploration of supramolecular interactions and photoresponse properties of two Ni(ii) complexes
  332. Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts
  333. Biological halogen bonds in protein–ligand complexes: a combined QTAIM and NCIPlot study in four representative cases
  334. Biologically relevant unusual cooperative assemblies and fascinating infinite crown-like supramolecular nitrate–water hosts involving guest complex cations in bipyridine and phenanthroline-based Cu(ii) coordination compounds: antiproliferati...
  335. Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations
  336. Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration
  337. Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand
  338. Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions
  339. Dual role of silver in a fluorogenic N-squaraine probe based on Ag(i)–π interactions
  340. Electron belt-to-σ-hole switch of noncovalently bound iodine(i) atoms in dithiocarbamate metal complexes
  341. Glutamate carboxypeptidase II as a model system for designing host–guest units: a theoretical approach
  342. Highly polar stacking interactions wrap inorganics in organics: lone-pair–π-hole interactions between the PdO4 core and electron-deficient arenes
  343. Iodonium complexes of the tertiary amines quinuclidine and 1-ethylpiperidine
  344. Scientists find an easy way to produce novel macrocyclic molecules containing iodine
  345. Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen
  346. Nickel(ii) complexes based on dithiolate–polyamine binary ligand systems: crystal structures, hirshfeld surface analysis, theoretical study, and catalytic activity study on photocatalytic hydrogen generation
  347. Novel ‘main-part’ isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties
  348. Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(i) and silver(i) complexes
  349. Selenium chalcogen bonds are involved in protein–carbohydrate recognition: a combined PDB and theoretical study
  350. Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering?
  351. Supramolecular assemblies involving biologically relevant antiparallel π-stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretica...
  352. Synthesis and crystal structure of the simultaneous binding of Ni(ii) cation and chloride by the protonated 2,4,6 tris-(2-pyridyl)-1,3,5 triazine ligand: theoretical investigations of anion⋯π, π⋯π and hydrogen bonding interactions
  353. Synthesis of Ni(ii)–Mn(ii) complexes using a new mononuclear Ni(ii) complex of an unsymmetrical N2O3 donor ligand: structures, magnetic properties and catalytic oxidase activity
  354. Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of the through-space α-effect
  355. Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems
  356. Ultrashort Hδ+⋯Hδ− intermolecular distance in a supramolecular system in the solid state
  357. Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights
  358. Unprecedented [d9]Cu⋯[d10]Au coinage bonding interactions in {Cu(NH3)4[Au(CN)2]}+[Au(CN)2]− salt
  359. X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones
  360. π-Hole spodium bonding in tri-coordinated Hg(ii) complexes
  361. Sildenafil–Resorcinol Cocrystal: XRPD Structure and DFT Calculations
  362. Interconvertible Hydrochlorothiazide–Caffeine Multicomponent Pharmaceutical Materials: A Solvent Issue
  363. Bifurcated μ2-I···(N,O) Halogen Bonding: The Case of (Nitrosoguanidinate)NiII Cocrystals with Iodine(I)-Based σ-Hole Donors
  364. Supramolecular architectures of Mn(NCS)2 complexes with N'-(1-(pyridin-4-yl)ethylidene)picolinohydrazide and N'-(phenyl(pyridin-4-yl)methylene)isonicotinohydrazide
  365. Unconventional formation of a 1D-chain of H-bonded water molecules in bipyridine-based supramolecular hexameric hosts of isostructural coordination compounds of Co(II) and Zn(II): Antiproliferative evaluation and theoretical studies
  366. Reaction of Cu(II) Chelates with Uranyl Nitrate to Form a Coordination Complex or H-Bonded Adduct: Experimental Observations and Rationalization by Theoretical Calculations
  367. A tetrameric uudd type water cluster encapsulated in a dinuclear vanadium(V) schiff base complex and its role in the formation of supramolecular assemblies: A joint experimental and theoretical study
  368. Energetically Significant Cooperative π-stacked Ternary Assemblies in Ni(II) Phenanthroline Compounds involving Discrete Water Clusters: Anticancer Activities and Theoretical Studies
  369. Existence of stronger C–H···π(chelate ring) interaction compared to C–H···π(arene) interactions in the supramolecular assembly of dinuclear iron(III) Schiff base complexes: A theoretical insight
  370. Synthesis, X-ray characterization, Hirshfeld surface analysis and DFT calculations on tetrazolyl-phenol derivatives: H-bonds vs C–H…π/π…π interactions
  371. Energetically significant anti-parallel π-stacking and unconventional anion-π interactions in phenanthroline based Ni(II) and Cu(II) coordination compounds: Antiproliferative evaluation and theoretical studies
  372. Exploitation of the electron deficient outer O4 compartment of a compartmental Schiff base to act as H-bond acceptors in forming a self-assembled dimer of a manganese(III) complex: A joint experimental and theoretical venture
  373. In-vitro prediction of the membranotropic action of emerging organic contaminants using a liposome-based multidisciplinary approach
  374. Naphthalenediimides with Cyclic Oligochalcogenides in Their Core
  375. Two copper (II) complexes derived from anthranilic acid and 4-iodo-anthranilic acid Schiff bases: Structural elucidation, halogen bonding interactions and catalytic study using 3,5-DTBC
  376. Intramolecular Spodium Bonds in Zn(II) Complexes: Insights from Theory and Experiment
  377. Tetrel Bonding Interactions Involving Carbon at Work: Recent Advances in Crystal Engineering and Catalysis
  378. Semicoordination Bond Breaking and Halogen Bond Making Change the Supramolecular Architecture of Metal-Containing Aggregates
  379. Regium−π Bonds Are Involved in Protein–Gold Binding
  380. Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide
  381. DFT Analysis of Uncommon π···H-Bond Array Interaction in a New Pterostilbene/Theophylline Cocrystal
  382. Two New Hydrogen-bonded Supramolecular Dioxo-molybdenum(VI) Complexes Based on Acetyl-Hydrazone Ligands: Synthesis, Crystal Structure and DFT Studies
  383. Coordination polymers of manganese(II), cobalt(II), nickel(II) and cadmium(II) decorated with rigid pyrazine-2,3-dicarboxylic acid linker: Synthesis, structural diversity, DFT study and magneto-luminescence properties
  384. Exploration of Br⋯O halogen bonding interactions in dinuclear vanadium(V) complexes with Schiff base ligands
  385. New metal chelate constructed from Ni(NCS)2 and 1,2-diphenyl-1,2-bis((phenyl(pyridin-2-yl)methylene)hydrazono)ethane
  386. σ- and π-Hole Interactions
  387. Magnetically separable nanocatalyst (IL@CuFe2O4-L-Tyr-TiO2/TiTCIL): Preparation, Characterization and its applications in 1,2,3-triazole synthesis and in photodegradation of MB
  388. Noble Gas Bonding Interactions Involving Xenon Oxides and Fluorides
  389. Engineering Crystals Using sp 3 ‐C Centred Tetrel Bonding Interactions
  390. Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements
  391. Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements
  392. Correction to “Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn2Fe Trimer”
  393. Novel Pb(II) Complexes: X-Ray Structures, Hirshfeld Surface Analysis and DFT Calculations
  394. One-Pot Route to X-perfluoroarenes (X = Br, I) Based on FeIII-Assisted C–F Functionalization and Utilization of These Arenes as Building Blocks for Crystal Engineering Involving Halogen Bonding
  395. Halogen Bonds in Protein Nucleic Acid Recognition
  396. Quantifying Intramolecular Halogen Bonds in Nucleic Acids: A Combined Protein Data Bank and Theoretical Study
  397. π-Hole···dz2[PtII] Interactions with Electron-Deficient Arenes Enhance the Phosphorescence of PtII-Based Luminophores
  398. Role of Imidazole Co–Ligand in the Supramolecular Network of a Co(II) Complex with Sulfadiazine: Crystal Structure, Hirshfeld Surface Analysis and Energetic Calculations
  399. Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn2Fe Trimer
  400. Supramolecular Assembly of Metal Complexes by (Aryl)I⋅⋅⋅d[Pt II ] Halogen Bonds
  401. Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts
  402. Novel Cd (II) Coordination Polymers Afforded with EDTA or Trans-1,2-Cdta Chelators and Imidazole, Adenine, or 9-(2-Hydroxyethyl) Adenine Coligands
  403. Covalent and Non-covalent Noble Gas Bonding Interactions in XeFn Derivatives (n = 2–6): A Combined Theoretical and ICSD Analysis
  404. Intramolecular sp2-sp3 Disequalization of Chemically Identical Sulfonamide Nitrogen Atoms: Single Crystal X-Ray Diffraction Characterization, Hirshfeld Surface Analysis and DFT Calculations of N-Substituted Hexahydro-1,3,5-Triazines
  405. Straightforward Three-Component Synthesis of N′,N′′-Disubstituted N-Alkyl-1,3,5-Triazinanes
  406. Anion–Cation Recognition Pattern, Thermal Stability and DFT-Calculations in the Crystal Structure of H2dap[Cd(HEDTA)(H2O)] Salt (H2dap = H2(N3,N7)-2,6-Diaminopurinium Cation)
  407. Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigation
  408. Front Cover: Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigations (Chem. Eur. J. 21/2020)
  409. 9-Ethyladenine: Mechanochemical Synthesis, Characterization, and DFT Calculations of Novel Cocrystals and Salts
  410. Charge‐Assisted Chalcogen Bonds: CSD and DFT Analyses and Biological Implication in Glucosidase Inhibitors
  411. Iridium(III) coordination of N(6) modified adenine derivatives with aminoacid chains
  412. Not Only Hydrogen Bonds: Other Noncovalent Interactions
  413. Supramolecular architecture constructed from the hemidirected lead(II) complex with N'-(4-hydroxybenzylidene)isonicotinohydrazide
  414. Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigations
  415. Recurrent Supramolecular Motifs in a Series of Acid–Base Adducts Based on Pyridine-2,5-Dicarboxylic Acid N-Oxide and Organic Bases: Inter- and Intramolecular Hydrogen Bonding
  416. Halogen interactions in dinuclear copper(II) 2,4-dibromophenoxyacetate – crystal structure and quantum chemical calculations
  417. A combined experimental and theoretical study on an ionic cobalt(III/II) complex with a Schiff base ligand
  418. Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies
  419. Ionpair-π interactions favor cell penetration of arginine/tryptophan-rich cell-penetrating peptides
  420. Molecular and supramolecular recognition patterns in ternary copper(II) or zinc(II) complexes with selected rigid-planar chelators and a synthetic adenine-nucleoside
  421. Synthesis, reactivity, X-ray characterization and docking studies of N7/N9-(2-pyrimidyl)-adenine derivatives
  422. σ/π-Hole noble gas bonding interactions: Insights from theory and experiment
  423. The Effect of Guest Metal Ions on the Reduction Potentials of Uranium(VI) Complexes: Experimental and Theoretical Investigations
  424. On the Role of Water as a Catalyst in Prebiotic Chemistry
  425. Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-p-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds
  426. Front Cover: Through-Space “α-Effect” between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives (Eur. J. Org. Chem. 2/2020)
  427. Energetically significant unconventional O H⋯π contacts involving discrete guest (H2O)8 clusters in a fumarato bridged polymeric supramolecular host of Ni(II) phenanthroline: Antiproliferative evaluation and theoretical studies
  428. Metal–organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity
  429. Self-assembly of amphiphilic aryl-squaramides in water driven by dipolar π–π interactions
  430. A series of hydrogen bond mediated dinuclear nickel(II) complexes with reduced Schiff base ligands: An insight into the nature of their short intermolecular hydrogen bonds
  431. Combined experimental and computational studies on preferential CO2 adsorption over a zinc-based porous framework solid
  432. DFT analysis of supra-molecular assemblies of substituted 4H-pyran derivatives
  433. Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex
  434. Halogen⋯halogen interactions in decahalo-closo-carboranes: CSD analysis and theoretical study
  435. Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion–π/π–π/π–anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental a...
  436. Binuclear and tetranuclear Zn(ii) complexes with thiosemicarbazones: synthesis, X-ray crystal structures, ATP-sensing, DNA-binding, phosphatase activity and theoretical calculations
  437. Charge-assisted hydrogen bond and nitrile⋯nitrile interaction directed supramolecular associations in Cu(ii) and Mn(ii) coordination complexes: anticancer, hematotoxicity and theoretical studies
  438. Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine Schiff base: DNA binding, anticancer activity and histidine sensing ability of the complex
  439. Charge assisted halogen and pnictogen bonds: insights from the Cambridge Structural Database and DFT calculations
  440. Diminishing accessibility of electrophilic nickel(ii) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(ii)/sodium complexes: a DFT study using a homodesmotic equation
  441. Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations
  442. Supramolecular and theoretical perspectives of 2,2′:6′,2′′-terpyridine based Ni(ii) and Cu(ii) complexes: on the importance of C–H⋯Cl and π⋯π interactions
  443. Metal removal from the secondary building unit of bio-MOF-1 by adenine N6-alkylation while retaining the overall 3D porous topology
  444. Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure
  445. Radical⋯radical chalcogen bonds: CSD analysis and DFT calculations
  446. Selective functionalisation of aromatic alcohols with supramolecularly regulated gold(i) catalysts
  447. Asymmetric [N–I–N]+ halonium complexes
  448. Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations
  449. A late appearing polymorph of nutraceutical pterostilbene
  450. Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and the...
  451. Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine–valeric acid, adenine–hexanoic acid and adenine–gabapentine
  452. Diaryliodonium as a double σ-hole donor: the dichotomy of thiocyanate halogen bonding provides divergent solid state arylation by diaryliodonium cations
  453. Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group
  454. Recurrent π–π stacking motifs in three new 4,5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations
  455. A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(iii) complexes
  456. Recurrent motifs in pharmaceutical cocrystals involving glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations
  457. Methylene spacer regulated variation in supramolecular assembly of zinc(ii) dicyanamide complexes with reduced Schiff base ligands: synthesis, structure and DFT study
  458. A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(iii) complexes
  459. Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations
  460. Recurrent π(arene)⋯π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations
  461. Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity
  462. Unravelling the electronic nature of C–F⋯O–C non-covalent interaction in proteins and small molecules in the solid state
  463. On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate–polyamine binary ligand systems
  464. Oxalato bridged coordination polymer of manganese(iii) involving unconventional O⋯π-hole(nitrile) and antiparallel nitrile⋯nitrile contacts: antiproliferative evaluation and theoretical studies
  465. Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions
  466. A new spodium bond driven coordination polymer constructed from mercury(ii) azide and 1,2-bis(pyridin-2-ylmethylene)hydrazine
  467. Correction: Diminishing accessibility of electrophilic nickel(ii) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(ii)/sodium complexes: a DFT study using a homodesm...
  468. Synthesis, structural and DFT interpretation of a Schiff base assisted Mn(III) derivative
  469. Zn(II) and Co(II) derivatives anchored with scorpionate precursor: Antiproliferative evaluation in human cancer cell lines
  470. On the importance of π-hole spodium bonding in tricoordinated HgII complexes
  471. Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties
  472. Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties
  473. Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties
  474. Antiproliferative evaluation and supramolecular association involving electrostatically enhanced π-π interaction in isostructural coordination solids of Mn(II), Co(II) and Zn(II) chlorobenzoates: Experimental and theoretical studies
  475. Supramolecular association involving antiparallel CO⋯CO and anion–π contacts in Co(II) and Mn(II) complexes involving 2,5-pyridinedicarboxylate: Anticancer evaluation and theoretical studies
  476. Synthesis and characterization of a manganese(III) schiff base complex and exploration of Br···Br interaction in the solid state structure of the complex
  477. Antiproliferative evaluation and supramolecular association in Mn(II) and Zn(II) bipyridine complexes: Combined experimental and theoretical studies
  478. Through-Space “α-Effect” between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives
  479. A combined experimental and computational study of a supramolecular assembly based on cationic zinc(II)-ethanesulfonate
  480. Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicarboxylic acid and copper ion: X-ray crystallography and DFT calculations
  481. Definition of the chalcogen bond (IUPAC Recommendations 2019)
  482. Importance of π-Interactions Involving Chelate Rings in Addition to the Tetrel Bonds in Crystal Engineering: A Combined Experimental and Theoretical Study on a Series of Hemi- and Holodirected Nickel(II)/Lead(II) Complexes
  483. π‐Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures
  484. Surface Modification of Pseudoboehmite-Coated Aluminum Plates with Squaramic Acid Amphiphiles
  485. Two Geometrical Isomers of a 1D Coordination Polymer: Rationalization by Theoretical Calculations and Variation of Electrical Properties with the Change in Binding Mode of Dicarboxylate Linker
  486. Anion–π Interactions in Light‐Induced Reactions: Role in the Amidation of (Hetero)aromatic Systems with Activated N ‐Aryloxyamides
  487. Indirect influence of alkyl substituent on sigma-hole interactions: The case study of antimony(III) diphenyldithiophosphates with covalent Sb-S and non-covalent Sb⋯S pnictogen bonds
  488. Nitropyridine-1-Oxides as Excellent π-Hole Donors: Interplay between σ-Hole (Halogen, Hydrogen, Triel, and Coordination Bonds) and π-Hole Interactions
  489. A combined experimental and theoretical analysis of the solid-state supramolecular self-assembly of N-(2,4-dichlorophenyl)-1-naphthamide: Synthesis, anticholinesterase potential and molecular docking analysis
  490. 5,5'-Dibenzoimidazole as Building Block for a New 3D Co(II) Coordination Polymer: A Combined EPR and DFT Study Using UB3LYP Model
  491. Energetically significant unconventional π-π contacts involving fumarate in a novel coordination polymer of Zn(II): In-vitro anticancer evaluation and theoretical studies
  492. Supramolecular Assemblies in Pb(II) Complexes with Hydrazido-Based Ligands
  493. Cu(II) and Co(II) coordination solids involving unconventional parallel nitrile(π)‒nitrile(π) and energetically significant cooperative hydrogen bonding: Experimental and theoretical studies
  494. Tri-nuclear copper-cadmium complexes of a N2O2-donor ligand with the variation of counter anions: Structural elucidation and theoretical study on inter-molecular interactions
  495. A Series of Lanthanide-Based Metal–Organic Frameworks Derived from Furan-2,5-dicarboxylate and Glutarate: Structure-Corroborated Density Functional Theory Study, Magnetocaloric Effect, Slow Relaxation of Magnetization, and Luminescent Properties
  496. Gallic Acid Dimer As a Double π–Hole Donor: Evidence from X-ray, Theoretical Calculations, and Generalization from the Cambridge Structural Database
  497. Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link
  498. Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link
  499. Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) 3,5-dimethylpyrazole complexes: anticancer evaluation and theoretical studies
  500. Spectral, electrochemical and DFT studies of a trimetallic CuII Derivative: Antimycobacterial and cytotoxic activity
  501. Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study
  502. Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives
  503. Theoretical ab Initio Study on Cooperativity Effects between Nitro π‐hole and Halogen Bonding Interactions
  504. Theoretical and Crystallographic Study of Lead(IV) Tetrel Bonding Interactions
  505. Tetrel bonding interactions at work: Impact on tin and lead coordination compounds
  506. An inorganic–organic hybrid supramolecular framework based on the γ-[Mo8O26]4−cluster and cobalt complex of aspartic acid: X-ray structure and DFT study
  507. Synthesis, X‐ray characterization and density functional theory studies of N 6 ‐benzyl‐N 6 ‐methyladenine–M(II) complexes (M = Zn, Cd): The prominent role of π–π, C–H···π and anion–π interactions
  508. Anion–π Catalysis
  509. From P-Functional Thiazol-2-thione Derivatives to Phosphaalkenes
  510. A novel oxalato bridged supramolecular ternary complex of Cu(II) involving energetically significant π-hole interaction: Experimental and theoretical studies
  511. A triple alkoxo bridged dinuclear cobalt(III) complex mimicking phosphatase and showing ability to degrade organic dye contaminants by photocatalysis
  512. Observation of an anion⋯anion interaction in a square planar copper(II) Schiff base complex: DFT study and CSD analysis
  513. Supramolecular association in Cu(II) coordination complexes involving energetically significant NO⋯NO π–hole interaction and cooperative π-stacked ternary assembly: Experimental and theoretical studies
  514. Supramolecular association involving nitrile–nitrile interactions in polymeric Mn(II) coordination complexes: A combined experimental and theoretical study
  515. EPR, DFT and electrochemical interpretation of a Cu(II) derivative incorporating a Schiff base precursor
  516. Supramolecular coordination chemistry of group IIB compounds
  517. Hydrogen Bond versus Halogen Bond in HXOn (X = F, Cl, Br, and I) Complexes with Lewis Bases
  518. Synthesis, structure, physicochemical characterization and theoretical evaluation of non-covalent interaction energy of a polymeric copper(II)-hydrazone complex
  519. Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer
  520. H-Bonded anion–anion complexes in fentanyl citrate polymorphs and solvates
  521. 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding
  522. Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes
  523. Halogen bonding effects on the outcome of reactions at metal centres
  524. Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations
  525. On the preferences of five-membered chelate rings in coordination chemistry: insights from the Cambridge Structural Database and theoretical calculations
  526. Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts
  527. On the importance of antiparallel π–π interactions in the solid state of isatin-based hydrazides
  528. Unexpected chalcogen bonds in tetravalent sulfur compounds
  529. Solvent-driven structural topology involving energetically significant intra- and intermolecular chelate ring contacts and anticancer activities of Cu(ii) phenanthroline complexes involving benzoates: experimental and theoretical studies
  530. Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid adenine-β-alanine and adenine-GABA molecules
  531. Formation of an imidazoliumyl-substituted [(LC)4P4]4+tetracation and transition metal mediated fragmentation and insertion reaction (LC= NHC)
  532. “Like–like” tetrel bonding interactions between Sn centres: a combinedab initioand CSD study
  533. Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study
  534. Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions
  535. Effects of N-oxidation on the molecular and crystal structures and properties of isocinchomeronic acid, its metal complexes and their supramolecular architectures: experimental, CSD survey, solution and theoretical approaches
  536. Influence of the aromatic surface on the capacity of adsorption of VOCs by magnetite supported organic–inorganic hybrids
  537. Intramolecular π–hole interactions with nitro aromatics
  538. Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker
  539. closo-Carboranes as dual CH⋯π and BH⋯π donors: theoretical study and biological significance
  540. Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands
  541. Chloranilate bridged dinuclear copper(ii) complexes: syn–anti geometry tuned by the steric factor and supramolecular interactions
  542. Controlled scrambling reactions to polyphosphanes via bond metathesis reactions
  543. Formation of a tetranuclear supramolecule via non-covalent Pb⋯Cl tetrel bonding interaction in a hemidirected lead(ii) complex with a nickel(ii) containing metaloligand
  544. Photosensitive Schottky barrier diode behavior of a semiconducting Co(iii)–Na complex with a compartmental Schiff base ligand
  545. Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight
  546. Diethylaminophenyl-based Schiff base Cu(ii) and V(iv) complexes: experimental and theoretical studies and cytotoxicity assays
  547. A New phenoxido/trifluoroacetato bridged heterometallic NiII2CuII derivative: Structure, EPR interpretation and DFT computation
  548. Correction: 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding
  549. DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study
  550. Seven and eight-coordinate Fe(III) complexes containing pre-organized ligand 1,10-phenanthroline-2,9-dicarboxylic acid: Solvent effects, supramolecular interactions and DFT calculations
  551. Supramolecular association in Cu(II) and Co(II) coordination complexes of 3,5-dimethylpyrazole: Experimental and theoretical studies
  552. Tetranuclear MnII /ZnII and Novel Azido-Bridged Chair-Shaped Heptanuclear CdII Compounds: The Effect of Metal Ion and Coordination Mode of the Azide Group on the Structure of the Products
  553. Primary Anion−π Catalysis and Autocatalysis
  554. Werner Type Clathrates Involving Guest Benzoic Acid and Benzoate in Discrete Mn(II) Hosts: Experimental and Theoretical Studies
  555. A Ni(II) derivative incorporating tetradentate Schiff base precursor: Structure, spectral, electrochemical and DFT interpretation
  556. S⋅⋅⋅Sn Tetrel Bonds in the Activation of Peroxisome Proliferator-Activated Receptors (PPARs) by Organotin Molecules
  557. Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW12O40]4−: a synthetic, structural and computational investigation
  558. Bioactive Heterometallic CuII–ZnII Complexes with Potential Biomedical Applications
  559. Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences
  560. Synthesis, structures, and investigation of noncovalent interactions of 1,3-dimethyl-5-(4ʹ/3ʹ-pyridylazo)-6-aminouracil and their Ni(II) complexes
  561. Synthesis, characterization and DFT study on two copper(II) complexes with a naphthalene-based Schiff base: Examples of stronger chelate–chelate interactions than those reported for classical π–π complexes
  562. Nickel(II) based homo- vs heterometallic 1D coordination polymers derived from a novel 6-aminouracil building block: Structures, topologies, non-covalent interactions, magnetism, and antibacterial activity
  563. A Strategy to Synthesize Molecular Knots and Links Using the Hydrophobic Effect
  564. Frontispiece: Adsorption and Quantification of Volatile Organic Compounds (VOCs) by using Hybrid Magnetic Nanoparticles
  565. Intramolecular Noncovalent Carbon Bonding Interaction Stabilizes the cis Conformation in Acylhydrazones
  566. Adsorption and Quantification of Volatile Organic Compounds (VOCs) by using Hybrid Magnetic Nanoparticles
  567. Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization
  568. Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study
  569. Synthesis of Multinuclear Zn(II) Complexes Involving 8‐Aminoquinoline‐ Based Schiff‐Base Ligand: Structural Diversity, DNA Binding Studies and Theoretical Calculations.
  570. Mixed-ligand complexes of zinc(II) with 1,1-dicyanoethylene-2,2-dithiolate and N-donor ligands: A combined experimental and theoretical study
  571. Regium-π vs Cation-π Interactions in M2 and MCl (M = Cu, Ag and Au) Complexes with Small Aromatic Systems: An ab Initio Study
  572. A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π–π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates
  573. Remote Control of Anion-π Catalysis on Fullerene-Centered Catalytic Triads
  574. Cu(II)–N6-Alkyladenine Complexes: Synthesis, X-ray Characterization and Magnetic Properties
  575. Copper(II) polyamine chelates as efficient receptors for acyclovir: syntheses, crystal structures and dft study
  576. Syntheses of four new asymmetric Schiff bases and their Cu(II) complexes: Theoretical calculations to rationalize the packing of molecules in the crystals
  577. Regium-π bonds: An Unexplored Link between Noble Metal Nanoparticles and Aromatic Surfaces
  578. Synergistic Anion–(π)n–π Catalysis on π-Stacked Foldamers
  579. Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent Structural Variations and Charge Transport Property Analysis
  580. Chalcogen ‘like-like’ Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study
  581. Anion−π Interactions in Hollow Crystals of a Copper(II)-Cyamelurate Coordination Complex
  582. Estimating the energy of noncovalent interactions in a dioxovanadium(V) Schiff base complex: Exploration of its phenoxazinone synthase like activity
  583. Coordination Polymers Based on Phthalic Acid and Aminopyrazine Ligands: On the Importance of N–H···π Interactions
  584. Synthesis, Substitution, and Oxidation of Imidazole-2-thione Based Tricyclic 1,4-Dihydro-1,4-diphosphinines
  585. Valence-Tautomerism-Driven Aromatic Nucleophilic Substitution in Cobalt-Bound Tetrabromocatecholate Ligands - Influence of Positive Charge at the Ligand Backbone on Phenoxazinone Synthase Activity
  586. Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity
  587. Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands
  588. Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes
  589. Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C–H⋯π(bimetallo ring) interactions
  590. A family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions
  591. A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties
  592. Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study
  593. Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors
  594. Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine–glycine and adenine–glycylglycine molecules
  595. Experimental and computational investigations of the photosensitive Schottky barrier diode property of an azobenzene based small organic molecule
  596. H-Bonded anion–anion complex trapped in a squaramido-based receptor
  597. Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates
  598. Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization
  599. Lone pair–π vs. σ-hole–π interactions in bromine head-containing oxacalix[2]arene[2]triazines
  600. Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study
  601. On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds
  602. One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities
  603. Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations
  604. Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring
  605. Quantifying conventional C–H⋯π(aryl) and unconventional C–H⋯π(chelate) interactions in dinuclear Cu(ii) complexes: experimental observations, Hirshfeld surface and theoretical DFT study
  606. Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects
  607. Screening polymorphism in a Ni(ii) metal–organic framework: experimental observations, Hirshfeld surface analyses and DFT studies
  608. Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin
  609. Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation
  610. Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study
  611. A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution
  612. σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight
  613. A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH
  614. CHAPTER 9. Quantitative Analysis of Weak Non-covalent σ-Hole and π-Hole Interactions
  615. Anion-reliant structural versatility of novel cadmium(II) complexes: Synthesis, crystal structures, photoluminescence properties and exploration of unusual O···S chalcogen bonding involving thiocyanate coligand
  616. Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study
  617. A Combined Experimental and Theoretical Study to Explore the Importance of σ-Hole Carbon Bonding Interactions in Stabilizing Molecular Assemblies
  618. Theoretical investigation on molecular structure of a new mononuclear copper(II) thiocyanato complex with tridentate Schiff base ligand
  619. A polynuclear and two dinuclear copper(II) Schiff base complexes: Synthesis, characterization, self-assembly, magnetic property and DFT study
  620. Influence of ancillary ligands on preferential geometry and biomimetic catalytic activity in manganese(III)-catecholate systems: A combined experimental and theoretical study
  621. Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN6 and CoN4 S2 Coordination Spheres
  622. A Combined Experimental and Theoretical Study on the Formation of a Cyclic Tetrameric Water Cluster and a Similar Type of Cyclic Cluster in Copper(II) Schiff Base Complexes
  623. Estimation of non-covalent C H⋯π, π⋯π (chelate ring) and hydrogen bonding interactions in vanadium(V) Schiff base complexes: Methylene spacer regulated variation in self-assembly
  624. Anion−π Catalysis on Fullerenes
  625. Suitable Interplay between Various Conventional and Unconventional Non-Covalent Interactions in Forming Self-Assembled Supramolecules of Two Ni(II)/Zn(II) Schiff Base Complexes
  626. Supramolecular coordination polymers of La(III), Ce(III), Sm(III), Gd(III) and Eu(III) decorated with rigid 5-hydroxy-1,3-benzenedicarboxylate and flexible hexane-1,6-dicarboxylate linkers: Syntheses, structures, DFT study, luminescence and magnetic pr...
  627. The roles of H-bonding, π-stacking, and antiparallel CO ⋯ CO interactions in the formation of a new Gd(III) coordination polymer based on pyridine-2,6-dicarboxylic acid
  628. Back Cover: On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2 . Radicals: An ab Initio Study (ChemPhysChem 16/2017)
  629. Synthesis and structure of 1,3-dimethyl-5-( p -sulfonamide-phenylazo)-6-aminouracil and its Ni(II) complex: Topological insights and investigation for noncovalent interactions
  630. Phosphatase Mimicking Activity of Two Zinc(II) Schiff Base Complexes with Zn2 O2  Cores: NBO Analysis and MEP Calculation to Estimate Non-Covalent Interactions
  631. Accidental Orthogonality Induced Weak Magnetic Coupling in a Dinuclear Copper(II) Complex: Exploration of Unconventional C-H⋅⋅⋅π(SCN) Interactions and Catechol Oxidase Activity
  632. Importance of R–CF3···O Tetrel Bonding Interactions in Biological Systems
  633. Synthetic Modulation of a Chemosensor Affords Target Metal Ion Switch from Zn2+to Al3+
  634. Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π–hole interactions: A combined experimental and theoretical analysis
  635. Molecular electrostatic potential and “atoms-in-molecules” analyses of the interplay between π-hole and lone pair···π/X-H···π/metal···π interactions
  636. On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2 . Radicals: An ab Initio Study
  637. On the Importance of Halogen–Halogen Interactions in the Solid State of Fullerene Halides: A Combined Theoretical and Crystallographic Study
  638. The Mouse in a Trap: Observation of a C(sp3)–F···F–C(sp3) Interaction in a Discrete CFC Pair by the Crystal Sponge Method
  639. Selective and Reversible Fluoride Complexation from Water by a Cyclic Tri(phosphonio)methanide Dication
  640. Exploring 3D non-interpenetrated metal–organic framework with malonate-bridged Co(II) coordination polymer: structural elucidation and theoretical study
  641. Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene
  642. Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene
  643. Magneto-structural and theoretical study of the weak interactions in a Mn(II) complex with a very unusual N,O-chelating coordination mode of 2-aminoterephthalate
  644. Synthesis and crystal structures of three new lead(II) isonicotinoylhydrazone derivatives: Anion controlled nuclearity and dimensionality
  645. Synthesis, Characterization, DFT Study, Catechol Oxidase and Phenoxazinone Synthase Like Activities of Two New Manganese(IV) Schiff Base Complexes
  646. On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications
  647. Competition between lone pair-π, halogen-π and triel bonding interactions involving BX3 (X = F, Cl, Br and I) compounds: an ab initio study
  648. Pseudohalides regulated diverse helicity in copper(II) coordination polymers derived from a bis(aminoethoxy) ligand
  649. Introducing Supramolecular Interactions into Robust Bis(tetrabromocatecholate) Chelated Manganese(III) Systems and Biomimetic Catalytic Activity
  650. NO3− anions can act as Lewis acid in the solid state
  651. Design of end-on cyanato bridged trinuclear Cu(II) Schiff base complex with salen type Schiff base ligand: synthesis, structural investigation and DFT study
  652. Dangling and Hydrolyzed Ligand Arms in [Mn3] and [Mn6] Coordination Assemblies: Synthesis, Characterization, and Functional Activity
  653. Observation of π-hole interactions in the solid state structures of three new copper(II) complexes with a tetradentate N4 donor Schiff base: Exploration of their cytotoxicity against MDA-MB 468 cells
  654. Fluorescent sensing of Al 3+ by benzophenone based Schiff base chemosensor and live cell imaging applications: Impact of keto-enol tautomerism
  655. New pyridoxal based chemosensor for selective detection of Zn2+: Application in live cell imaging and phosphatase activity response
  656. X-ray Crystal Structure of a Metalled Double-Helix Generated by Infinite and Consecutive C*-AgI -C* (C*:N1 -Hexylcytosine) Base Pairs through Argentophilic and Hydrogen Bond Interactions
  657. Melamine-mediated self-assembly of a Cu(II)–methylmalonate complex assisted by π+–π+ and anti-electrostatic H-bonding interactions
  658. Exploration of photocatalytic activity of an end-on azide bridged one-dimensional cadmium(II) Schiff base complex for the degradation of organic dye in visible light
  659. Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen charge-transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors
  660. Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymers
  661. The crucial role of chelate-chelate stacking interactions in the crystal structure of a square planar copper(II) complex
  662. Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(ii) Schiff base complexes
  663. A Cd(ii)-based MOF as a photosensitive Schottky diode: experimental and theoretical studies
  664. A Ni-based MOF for selective detection and removal of Hg2+ in aqueous medium: a facile strategy
  665. A Schiff base platform: structures, sensing of Zn(ii) and PPi in aqueous medium and anticancer activity
  666. A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides
  667. A highly selective “ON–OFF” probe for colorimetric and fluorometric sensing of Cu2+in water
  668. A survey of the different roles of polyoxometalates in their interaction with amino acids, peptides and proteins
  669. A trigonal prismatic anionic iron(iii) complex of a radical o-iminobenzosemiquinonate derivative: structural and spectral analyses
  670. Ambiguous reactivity of Li/Cl phosphinidenoid complexes under redox conditions – a novel dichotomy in phosphorus chemistry
  671. Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles
  672. Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study
  673. Concurrent aerogen bonding and lone pair/anion–π interactions in the stability of organoxenon derivatives: a combined CSD and ab initio study
  674. Cooperative influence of pseudohalides and ligand backbone of Schiff-bases on nuclearity and stereochemistry of cobalt(iii) complexes: experimental and theoretical investigation
  675. Donor–acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+(X = H, Me, CN, NCS, OH, Cl, OTf, F)
  676. Estimation of conventional C–H⋯π (arene), unconventional C–H⋯π (chelate) and C–H⋯π (thiocyanate) interactions in hetero-nuclear nickel(ii)–cadmium(ii) complexes with a compartmental Schiff base
  677. Importance of C–H⋯π interactions in stabilizing the syn/anti arrangement of pendant alkoxy side arms in two manganese(iv) Schiff base complexes: exploration of catechol oxidase and phenoxazinone synthase like activities
  678. Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines
  679. Nuclearity versus oxidation state in the catalytic efficiency of MnII/III azo Schiff base complexes: computational study on supramolecular interactions and phenoxazinone synthase-like activity
  680. Solid-state inclusion of C60 and C70 in a co-polymer induced by metal–ligand coordination of a Zn–porphyrin cage with a bis-pyridyl perylene derivative
  681. Supramolecular nanotubes based on halogen bonding interactions: cooperativity and interaction with small guests
  682. The development of a promising photosensitive Schottky barrier diode using a novel Cd(ii) based coordination polymer
  683. The first X-ray structure of a silver–nucleotide complex: interaction of ion Ag(i) with cytidine-5′-monophosphate
  684. Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide
  685. Unveiling the effects of the in situ generated arene anion radical and imine radical on catecholase like activity: a DFT supported experimental investigation
  686. π–hole interactions at work: crystal engineering with nitro-derivatives
  687. Correction: Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)
  688. Outstanding Reviewers for New Journal of Chemistry in 2016
  689. Solvent dependent nuclearity of manganese complexes with a polydentate hydrazone-based ligand and thiocyanate anions
  690. EPR interpretation, magnetism and biological study of a Cu(II) dinuclear complex assisted by a schiff base precursor
  691. Ligand-Flexibility Controlled and Solvent-Induced Nuclearity Conversion in CuII-Based Catecholase Models: A Deep Insight Through Combined Experimental and Theoretical Investigations
  692. Charge-assisted triel bonding interactions in solid state chemistry: A combined computational and crystallographic study
  693. Synthesis and Investigation of Solid- and Solution-State Structures of Nickel(II) Complexes with 1,3-Dimethyl-5-(arylazo)-6-aminouracil
  694. A combined experimental and theoretical study on two new dinuclear cadmium(II) Schiff base complexes with selenocyanate-κ-Se
  695. Modulation in π⋯π, cation⋯π and C–H⋯H–C interactions varying the counter anions in square planar nickel(II) Schiff base complexes: A combined experimental and theoretical study
  696. Irradiation Specified Conformational Change in a Small Organic Compound and Its Effect on Electrical Properties
  697. Cover Picture: On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study (ChemPhysChem 20/2016)
  698. On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study
  699. On the importance of antiparallel C O⋯C–F interactions in N1-(3-hydroxypropyl)-5-fluorouracilate–Hg(II) complex: A combined X-ray and DFT study
  700. Halide Ion Mediated Aldehyde-Amine Condensation Leading to Schiff-base and Cyclized Non-Schiff-base Ligand Complexes of CdII: A Combined Experimental and Theoretical Investigation
  701. Theoretical study on the degree of delocalization of unpaired spin in two mixed valence copper(II/I) complexes with isomeric chelating diamines and iodide
  702. Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism
  703. π-Hole Interactions Involving Nitro Compounds: Directionality of Nitrate Esters
  704. On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study
  705. Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization
  706. A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases
  707. Synthesis, X-ray characterization and DFT study of a novel Fe(III)–pyridine-2,6-dicarboxylic acid N -oxide complex with unusual coordination mode
  708. A combined experimental and theoretical study on supramolecular assemblies in octahedral cobalt(III) salicylaldimine complexes having pendant side arms
  709. Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor Schiff-base and 4,4′-bipyridine ligands: Structural analyses and theoretical studies
  710. Three mononuclear octahedral cobalt(III) complexes with salicylaldimine Schiff bases: Synthesis, characterization, phenoxazinone synthase mimicking activity and DFT study on supramolecular interactions
  711. On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer
  712. Asymmetric Hydrogenation of Seven-Membered C=N-containing Heterocycles and Rationalization of the Enantioselectivity
  713. Fluorescent Lipid Nanoparticles as Biomembrane Models for Exploring Emerging Contaminant Bioavailability Supported by Density Functional Theory Calculations
  714. Coordination Behavior of Chelidamic Acid With VV, NiII, FeIII, and CaII: Syntheses, X-ray Characterization and DFT Studies
  715. Anion-dependent structural diversity of cadmium(II) complexes: synthesis, crystal structures, luminescence properties, and unusual C-H/σ supramolecular interactions involving σ-aromatic M2X2cores
  716. σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF3 (Z=N, P, As, and Sb) Compounds and Several Donors
  717. RCH3···O Interactions in Biological Systems: Are They Trifurcated H-Bonds or Noncovalent Carbon Bonds?
  718. Importance of chelate–chelate stacking interactions in crystal structures of square pyramidal copper(II) complexes with two distinct chelating bidentate ligands
  719. Copper(II) pseudohalide complexes with isomeric N2O donor Schiff base ligands: Synthesis, characterization and molecular dynamics simulations of interactions with DNA
  720. Auxiliary Part of Ligand Mediated Unique Coordination Chemistry of Copper (II)
  721. Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations
  722. Tuning the topology of hybrid inorganic–organic materials based on the study of flexible ligands and negative charge of polyoxometalates: A crystal engineering perspective
  723. Valence tautomerism induced nucleophilic ipso substitution in a coordinated tetrabromocatecholate ligand and diverse catalytic activity mimicking the function of phenoxazinone synthase
  724. Tetrel Bonding Interactions
  725. A thorough anion–π interaction study in biomolecules: on the importance of cooperativity effects
  726. Towards design strategies for anion–π interactions in crystal engineering
  727. Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes
  728. 1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon
  729. Zn(II) and Cd(II) complexes with isonicotinoylhydrazone ligand
  730. Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis
  731. A novel method for copper(ii) mediated region-selective bromination of aromatic rings under mild conditions
  732. A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)–cadmium(ii) complexes with N2O4-donor compartmental Schiff bases
  733. A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization
  734. Correction: A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
  735. Catecholase activity, DNA binding and cytotoxicity studies of a Cu(ii) complex of a pyridoxal schiff base: synthesis, X-ray crystal structure, spectroscopic, electrochemical and theoretical studies
  736. Cationic 5-phosphonio-substituted N-heterocyclic carbenes
  737. Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions
  738. Electrostatically enhanced F⋯F interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study
  739. Exploration of unconventional π–hole and C–H⋯H–C types of supramolecular interactions in a trinuclear Cd(ii) and a heteronuclear Cd(ii)–Ni(ii) complex and experimental evidence for preferential site selection of the lig...
  740. Exploring the coordinative adaptation and molecular shapes of trinuclear CuII2MII (M = Zn/Cd) complexes derived from salen type Schiff bases: structural and theoretical studies
  741. Inorganic–organic hybrid materials based on PbBr2and pyridine–hydrazone blocks – structural and theoretical study
  742. Metal–organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly
  743. On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions
  744. Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(iii)-violurate derivative: a combined experimental and theoretical study
  745. Structural diversity and non-covalent interactions in Cd(II) and Zn(II) complexes derived from 3,5-dinitrobenzoic acid and pyridine: Experimental and theoretical aspects
  746. Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)
  747. Theoretical study on σ- and π-hole carbon⋯carbon bonding interactions: implications in CFC chemistry
  748. The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds
  749. CHAPTER 3. Anion–π Interactions: Theoretical Studies, Supramolecular Chemistry and Catalysis
  750. Carboxylate Coordination Assisted Aggregation for Quasi-Tetrahedral and Partial-Dicubane [Cu4] Coordination Clusters
  751. Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides
  752. An experimental and computational investigations of supramolecular anion–π/π–π/π–anion assemblies in mononuclear Zn(II) complexes with a versatile tetradentate N-donor Schiff base ligand
  753. New chloride-dimethylsulfoxide-iridium(III) complex with histaminium
  754. Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicotinoylhydrazone ligand
  755. Synthesis, structure, magnetic property and self-assembly of two double end-on azide bridged ferromagnetic nickel(II) complexes with distinct bidentate blocking ligands: A combined experimental and theoretical study
  756. Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salts: Solid state and DFT insights
  757. Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding
  758. Theoretical Study on the Dual Behavior of XeO3and XeF4toward Aromatic Rings: Lone Pair-π versus Aerogen-π Interactions
  759. Corrigendum: The Bright Future of Unconventional σ/π-Hole Interactions
  760. The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylate: synthesis, X-ray crystal structure, and DFT studies
  761. Competition between Halogen Bonding and π-Hole Interactions Involving Various Donors: The Role of Dispersion Effects
  762. Supramolecular interactions through lone pair(lp)–π and hydrogen bonding in cobalt(III) and manganese(II) derivatives of N,N′-dimethylvioluric acid: A combined experimental and theoretical study
  763. Unveiling NO2π···CC π–hole interactions: A combined computational and crystallographic study
  764. Enantiopure bisphosphine ligands with appended crown ether groups as regulation sites for Rh-mediated hydrogenations
  765. Supramolecularly Regulated Ligands for Asymmetric Hydroformylations and Hydrogenations
  766. The Bright Future of Unconventional σ/π-Hole Interactions
  767. Nature of Noncovalent Carbon-Bonding Interactions Derived from Experimental Charge-Density Analysis
  768. On the Importance of CH/π and CH⋅⋅⋅HC Interactions in the Solid State Structure of 15-Lipoxygenase Inhibitors Based on Eugenol Derivatives
  769. Aerogen Bonding Interaction: A New Supramolecular Force?
  770. A New Family of Ni4 and Ni6 Aggregates from the Self-Assembly of [Ni2] Building Units: Role of Carboxylate and Carbonate Bridges
  771. Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride–π Interactions in Solution
  772. Hydrogen Bond, π-π, and CH-π Interactions Governing the Supramolecular Assembly of Some Hydrazone Ligands and Their MnIIComplexes - Structural and Theoretical Interpretation
  773. Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII = Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study
  774. A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline
  775. Directionality of π-holes in nitro compounds
  776. Cadmium(ii) complexes containing N,N′-dimethylviolurate as ligand or counteranion: synthesis, characterization, crystal structures and DFT study
  777. Unprecedented structural variations in trinuclear mixed valence Co(ii/iii) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities
  778. Surprising behaviour of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes
  779. Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis
  780. From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide–tetradentate Schiff base complexes
  781. Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)2− based one-dimensional linear coordination polymer
  782. π-hole interaction involving nitro groups
  783. The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions
  784. Correction: Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis
  785. Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2′-pyridyl)-pyrazole-Cu(ii)
  786. Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline
  787. Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand
  788. Application of a novel 2D cadmium(ii)-MOF in the formation of a photo-switch with a substantial on–off ratio
  789. Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion–π interactions
  790. A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
  791. Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(iii) Schiff base complexes: a combined experimental and computational study
  792. π-Hole aerogen bonding interactions
  793. On the nature of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes
  794. Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through a proton transfer mechanism
  795. Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based “end-off” compartmental ligand
  796. Anion-π Interactions in Supramolecular Chemistry and Catalysis
  797. Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of nickel(II), cobalt(II) and zinc(II) mononuclear Schiff base complexes
  798. Synthesis, structure and DFT study of a chelidamic acid based Cu coordination polymer: On the importance of π–π interactions and hexameric water clusters
  799. Synthesis, structure, solution and DFT studies of a pyrazine-bridged binuclear Cu(II) complex: On the importance of noncovalent interactions in the formation of crystalline network
  800. Electronic Structure of N2P2 Four-Membered Rings and the Effect of Their Ligand Coordination to M(CO)5 (Cr, Mo, and W)
  801. Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)
  802. 3-Picoline Mediated Self-Assembly of M(II)–Malonate Complexes (M = Ni/Co/Mn/Mg/Zn/Cu) Assisted by Various Weak Forces Involving Lone Pair−π, π–π, and Anion···π–Hole Interactions
  803. A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer
  804. Experimental and Computational Study of Counterintuitive ClO4–···ClO4– Interactions and the Interplay between π+–π and Anion···π+ Interactions
  805. A new oxo centered basic p-chlorobenzoate bridging heterotrinuclear complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray crystal structure and theoretical DFT study
  806. Non-covalent sp3carbon bonding with ArCF3is analogous to CH–π interactions
  807. Structural basis for molecular recognition, theoretical studies and anti-bacterial properties of three bis-uracil derivatives
  808. Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevant catalytic activities of zinc(II) complexes: Experimental and theoretical investigations
  809. Recent developments in the crystal engineering of diverse coordination modes (0–12) for Keggin-type polyoxometalates in hybrid inorganic–organic architectures
  810. Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State
  811. Small Cycloalkane (CN)2CC(CN)2Structures Are Highly Directional Non-covalent Carbon-Bond Donors
  812. Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes
  813. Copper‐Assisted Hemiacetal Synthesis: A Cu II Chain Obtained by a One‐Step in situ Reaction of Picolinaldehyde
  814. Computational study of anion recognition based on tetrel and hydrogen bonding interaction by calix[4]pyrrole derivatives
  815. Synthesis, structural characterization, theoretical calculations and catecholase mimetic activity of manganese-Schiff base complexes
  816. Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold
  817. Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives
  818. Long-Range Effects in Anion-π Interactions: Their Crucial Role in the Inhibition Mechanism ofMycobacterium TuberculosisMalate Synthase
  819. A Combined Theoretical and Cambridge Structural Database Study of π-Hole Pnicogen Bonding Complexes between Electron Rich Molecules and Both Nitro Compounds and Inorganic Bromides (YO2Br, Y = N, P, and As)
  820. Electronic Structure of N2P2Four-Membered Rings
  821. On the relationship between ring strain energies and ‘atoms-in-molecules’ properties in N2P2 rings
  822. Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine)
  823. Molecular Recognition of Nucleotides in Water by Scorpiand-Type Receptors Based on Nucleobase Discrimination
  824. Thermodynamic Characterization of Halide−π Interactions in Solution Using “Two-Wall” Aryl Extended Calix[4]pyrroles as Model System
  825. pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study
  826. Syntheses, structures, properties and DFT study of hybrid inorganic–organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates
  827. Substituent effects in cation–π interactions revisited: a general approach based on intrinsic properties of the arenes
  828. A dodecanuclear copper(ii) cage self-assembled from six dicopper building units
  829. Relevant and unprecedented C–H/σ supramolecular interactions involving σ-aromatic M2X2cores
  830. Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-MIII (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers
  831. Triple-bridged ferromagnetic nickel(ii) complexes: A combined experimental and theoretical DFT study on stabilization and magnetic coupling
  832. The influence of H-bonding on the ‘ambidentate’ coordination behaviour of the thiocyanate ion to Cd(ii): a combined experimental and theoretical study
  833. An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system
  834. Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking
  835. Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions
  836. On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views
  837. Influence of ring size on the strength of carbon bonding complexes between anions and perfluorocycloalkanes
  838. Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions
  839. A combined experimental and computational study of supramolecular assemblies in ternary copper(ii) complexes with a tetradentate N4donor Schiff base and halides
  840. A Combined Experimental and Theoretical Investigation on the Role of Halide Ligands on the Catecholase-like Activity of Mononuclear Nickel(II) Complexes with a Phenol-Based Tridentate Ligand
  841. Cover Picture: On the Importance of Anion–π Interactions in the Mechanism of Sulfide:Quinone Oxidoreductase (Chem. Asian J. 11/2013)
  842. On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors
  843. Tetrel-Bonding Interaction: Rediscovered Supramolecular Force?
  844. Tetrel-Bonding Interaction: Rediscovered Supramolecular Force?
  845. Structural characterization, recognition patterns and theoretical calculations of long-chain N-alkyl substituted purine and pyrimidine bases as ligands: On the importance of anion–π interactions
  846. Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion–π interactions
  847. On the Importance of Anion–π Interactions in the Mechanism of Sulfide:Quinone Oxidoreductase
  848. M II –Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Experimental Observation, Hirshfeld Surface Analysis and Theoretical Study
  849. On the Importance of Unprecedented Lone Pair–Salt Bridge Interactions in Cu(II)–Malonate–2-Amino-5-Chloropyridine–Perchlorate Ternary System
  850. Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations
  851. Encapsulation of anions: Macrocyclic receptors based on metal coordination and anion–π interactions
  852. Dinuclear and heptanuclear nickel(II) complexes: Anion coordination induced ligand arm hydrolysis and aggregation around a nickel(II) core
  853. Quadrupole moment versus Molecular Electrostatic Potential: Strange behavior of ethynyl-substituted benzenes
  854. Is the Use of Diffuse Functions Essential for the Properly Description of Noncovalent Interactions Involving Anions?
  855. Polymorphism in hetero-metallic tri-nuclear CuII2CdII complexes of salicylaldimine ligand: Structural analysis and theoretical study
  856. Different Nature of the Interactions between Anions and HAT(CN)6: From Reversible Anion−π Complexes to Irreversible Electron-Transfer Processes (HAT(CN)6 = 1,4,5,8,9,12-Hexaazatriphenylene)
  857. Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(i) salts and flexible bis- and tris-pyrimidine ligands
  858. Experimental and theoretical studies on the coordination chemistry of the N1-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine)
  859. Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH⋯F bonds
  860. Anion–π interactions in [S4N3]+ rings
  861. Reversible switching of the electronic ground state in a pentacoordinated Cu(ii) complex
  862. Synthesis, crystal structure, magnetic property and DFT calculations of an unusual dinuclear μ2-alkoxido bridged iron(iii) complex
  863. Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers
  864. Halogen bonding versuschalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study
  865. Salt-bridge–π (sb–π) interactions at work: associative interactions of sb–π, π–π and anion–π in Cu(ii)-malonate–2-aminopyridine–hexafluoridophosphate ternary system
  866. Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies
  867. Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a “Metalloligand” [CuL] (H2L =N,N′-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in ...
  868. Anion-π Interactions Involving [MXn]m−Anions: A Comprehensive Theoretical Study
  869. Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones
  870. Interplay between ion–π and Ar/π Van der Waals interactions
  871. Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study
  872. Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion−π–Anion and Nonclassical C–H···Anion Interactions
  873. Complexes of Zinc(II) with N ‐Imidazolyl‐ and N ‐Pyrazolylpyrimidine Donor Ligands: Synthesis, Crystal Structures, and Theoretical Study
  874. A new benzimidazolium incorporated chemodosimeter affording dual chromogenic and fluorescence switch-on signaling for the selective targeting of cyanide
  875. Estimating ring strain energies in small carbocycles by means of the Bader’s theory of ‘atoms-in-molecules’
  876. Tuning of the anion–π interaction
  877. Theoretical ab initio study of anion–π interactions in inorganic rings
  878. Synthesis, X-ray characterization and computational Studies of N-imidazolyl and N-pyrazolyl pyrimidine derivatives
  879. Anion Induced Formation of Supramolecular Associations Involving Lone pair−π and Anion−π Interactions in Co(II) Malonate Complexes: Experimental Observations, Hirshfeld Surface Analyses and DFT Studies
  880. ChemInform Abstract: Putting Anion-π Interactions into Perspective
  881. Host–Guest Supramolecular Interactions in the Coordination Compounds of 4,4′-Azobis(pyridine) with MnX2 (X = NCS–, NCNCN–, and PF6–): Structural Analyses and Theoretical Study
  882. Pnicogen–π complexes: theoretical study and biological implications
  883. Cis–trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species
  884. Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine
  885. Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions
  886. Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation
  887. Anion–π Interactions in Molecular Recognition
  888. Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π–π interactions
  889. ChemInform Abstract: Cation-π and Anion-π Interactions
  890. Putting Anion-π Interactions Into Perspective
  891. Theoretical Study on Cooperativity Effects between Anion-π and Halogen-Bonding Interactions
  892. RI-MP2 and MPWB1K Study of π–Anion−π′ Complexes: MPWB1K Performance and Some Additivity Aspects
  893. Anionπ Interactions in Flavoproteins
  894. Unexpected Nonadditivity Effects in Anion−π Complexes
  895. Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]
  896. A methodological analysis for the assessment of non-covalent π interactions
  897. Synthesis and Crystal Structures of μ‐Oxido‐ and μ‐Hydroxido‐Bridged Dinuclear Iron(III) Complexes with an N 2 O Donor Ligand – A Theoretical Study on the Influence of Weak Forces on the Fe–O–Fe Bridging Angle
  898. Cation-π and anion-π interactions
  899. Can lone pair-π and cation-π interactions coexist? A theoretical study
  900. RNAs' uracil quartet model with a non-essential metal ion
  901. Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework
  902. Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study
  903. Radical cation (C˙+–π) and radical anion (A˙−–π) interactions with aromatic rings: energetic, orbitalic and spin density considerations
  904. On the directionality of anion–π interactions
  905. Kinetics and mechanism of the oxidation of hydroxylamine by a {Mn3O4}4+ core in aqueous acidic media
  906. A Highly Selective Fluorescence Turn-on Probe for Zn2+ Based on New Diaryloxadiazole Chelate
  907. Design of a dual sensing highly selective cyanide chemodosimeter based on pyridinium ring chemistry
  908. Supramolecular assemblies involving anion–π and lone pair–π interactions: experimental observation and theoretical analysis
  909. Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) complexes of salicylaldimine type ligands: Structural characterization and theoretical investigation
  910. The Role of the Ethynyl Substituent on the π-π Stacking Affinity of Benzene: A Theoretical Study
  911. Relevant Anion-π Interactions in Biological Systems: The Case of Urate Oxidase
  912. Relevant Anion-π Interactions in Biological Systems: The Case of Urate Oxidase
  913. New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N 6 ‐Substituted Adenines – Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers (Eur. J. Inorg. Chem. 36/2010)
  914. New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N 6 ‐Substituted Adenines – Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers
  915. Hydrogen-bond assisted stabilization of the less favored conformation of a tridentate Schiff base ligand in dinuclear nickel(II) complex: An experimental and theoretical study
  916. A Combined Experimental and Theoretical Study of Anion-π Interactions in N6- and N9-Decyladenine Salts (Eur. J. Org. Chem. 27/2010)
  917. A Combined Experimental and Theoretical Study of Anion-π Interactions in N6- and N9-Decyladenine Salts
  918. New 1,8-naphthyridine-based probes for the selective fluorescence signalling of toxic cadmium: synthesis, photophysical studies and molecular modelling
  919. Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X=D,T) level of theory for evaluating the BSSE in ion–π complexes
  920. Supramolecular Assembly of Mg(II) Complexes Directed by Associative Lone Pair−π/π−π/π−Anion−π/π−Lone Pair Interactions
  921. Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions
  922. Cooperativity effects between non-covalent interactions: Are they important for Z-DNA stability?
  923. A novel fluoride selective optical chemosensor based on internal charge transfer signaling
  924. Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine–fluorine noncovalent interactions
  925. Lone pair–π vs π–π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study
  926. Substituent Effects in Ion−π Interactions: Fine-Tuning via the Ethynyl Group
  927. Cooperativity in multiple unusual weak bonds
  928. Very Long-Range Effects: Cooperativity between Anion-π and Hydrogen-Bonding Interactions
  929. Interplay between cation–π and hydrogen bonding interactions: Are non-additivity effects additive?
  930. Counterintuitive Substituent Effect of the Ethynyl Group in Ion−π Interactions
  931. Thermodynamic Characterization of the Self-Assembly Process of a Three Component Heterobimetallic Bisporphyrin Macrocycle
  932. Anion–π, Lone‐Pair–π, π–π and Hydrogen‐Bonding Interactions in a Cu II Complex of 2‐Picolinate and Protonated 4,4′‐Bipyridine: Crystal Structure and Theoretical Studies
  933. Anion−π Interactions in Four-Membered Rings
  934. Simultaneous Interaction of Tetrafluoroethene with Anions and Hydrogen-Bond Donors: A Cooperativity Study
  935. Energetic vs Synergetic Stability: A Theoretical Study
  936. 2-Aminopyrimidine Derivatives Exhibiting Anion-π Interactions: A Combined Crystallographic and Theoretical Study
  937. Theoretical ab initio study of the interplay between hydrogen bonding, cation–π and π–π interactions
  938. Interplay between anion-π and hydrogen bonding interactions
  939. Theoretical and crystallographic study of edge-to-face aromatic interactions between pyridine moieties and benzene
  940. 1,2,4,5-Tetrazine: an unprecedented μ4-coordination that enhances ability for anion⋯π interactions
  941. Theoretical and Crystallographic Study of the Dual σ/π Anion Binding Affinity of Quinolizinylium Cation
  942. Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators
  943. Molecular Interaction Potential with Polarization (MIPp) Study of the Interplay Between Ion-π and Hydrogen Bonding Interactions
  944. Interplay between Edge-to-Face Aromatic and Hydrogen-Bonding Interactions
  945. Coordination Complexes Exhibiting Anion···π Interactions: Synthesis, Structure, and Theoretical Studies
  946. Interplay between cation-π and hydrogen bonding interactions
  947. Crystallographic and Theoretical Evidence of Anion–π and Hydrogen-Bonding Interactions in a Squaramide–Nitrate Salt
  948. On the importance of the inclusion of the basis set superposition error counterpoise correction during optimization of ion-π complexes
  949. High-Level Ab Initio Study of Anion–π Interactions in Pyridine and Pyrazine Rings Coordinated to AgI
  950. MP2 Study of synergistic effects between X–H/π (X = C,N,O) and π–π interactions
  951. MP2 Study of the Dual σ/π−Anion-Binding Affinity of Fluorinated Phthallic Acid Anhydrides
  952. A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyr­imidine) Salts (Eur. J. Org. Chem. 35/2007)
  953. A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyr­imidine) Salts
  954. Anion−π Interactions in Bisadenine Derivatives:  A Combined Crystallographic and Theoretical Study
  955. Induced-Polarization Energy Map:  A Helpful Tool for Predicting Geometric Features of Anion-π Complexes
  956. A Theoretical Study of Anion–π Interactions in Seven-Membered Rings
  957. MP2 study of anion–π complexes of trifluoro-s-triazine with tetrahedral and octahedral anions
  958. Dual Cation and Anion Acceptor Molecules. The Case of the (η6-C6H6)(η6C6F6)Cr(0) Complex
  959. MP2 study of cooperative effects between cation–π, anion–π and π–π interactions
  960. Interplay Between Cation-π, Anion-π and π-π Interactions
  961. Rational Design, Synthesis, and Application of a New Receptor for the Molecular Recognition of Tricarboxylate Salts in Aqueous Media
  962. MP2 Study of Cation−(π)n−π Interactions (n = 1−4)
  963. Affinity of ferrocene and (1,1′)(3,3′)[3,3]ferrocenophane to cations
  964. Synthesis, X-ray structure analysis and computational studies of novel bis(thiocarbamoyl) disulfides with non-covalent S⋯N and S⋯S interactions
  965. DABCO-Induced Self-Assembly of a Trisporphyrin Double-Decker Cage:  Thermodynamic Characterization and Guest Recognition
  966. Ab Initio Study of [n.n]Paracyclophane (n = 2, 3) Complexes with Cations:  Unprecedented Through-Space Substituent Effects
  967. A theoretical ab initio study of [n.n]paracyclophane complexes with cations
  968. Anion-π Interactions in Cyanuric Acids: A Combined Crystallographic and Computational Study
  969. Approximate Additivity of Anion−π Interactions:  An Ab Initio Study on Anion−π, Anion−π2and Anion−π3Complexes
  970. Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes
  971. Self-Assembly, Binding, and Dynamic Properties of Heterodimeric Porphyrin Macrocycles
  972. Counterintuitive affinity of [2.2]paracyclophane to cations
  973. o-Tolidine: A new reagent for a simple nephelometric determination of anionic surfactants
  974. Structure and Binding Energy of Anion−π and Cation−π Complexes:  A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods
  975. Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Attached to a Squaramide
  976. DABCO-Directed Self-Assembly of Bisporphyrins (DABCO=1,4-Diazabicyclo[2.2.2]octane)
  977. A Theoretical ab initio Study of the Capacity of Several Binding Units for the Molecular Recognition of Anions
  978. Applicability of the 1H NMR chemical shifts computed by the ab initio/GIAO-HF methodology to the study of geometrical features of Zn-porphyrin dimers
  979. Cation-π vs anion-π interactions: a complete π-orbital analysis
  980. Cation−π versus Anion−π Interactions:  Energetic, Charge Transfer, and Aromatic Aspects
  981. Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study
  982. Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features
  983. Self-assembly of [2]Rotaxane Exploiting Reversible Pt(II)- Pyridine Coordinate Bonds
  984. Conformational Preferences and Self-Template Macrocyclization of Squaramide-Based Foldable Modules
  985. Ab initio investigations of lithium diffusion in single-walled carbon nanotubes
  986. Anion–π Interactions: Do They Exist?
  987. Anion–π Interactions: Do They Exist?
  988. A Topological Analysis of the Electron Density in Anion-π Interactions
  989. Anion-π interactions in five-membered rings: a combined crystallographic and ab initio study
  990. Lithium diffusion in single-walled carbon nanotubes: a theoretical study
  991. Dual Binding Mode of s-Triazine to Anions and Cations
  992. Intramolecular noncovalent force in cyclic amidines: nonbonded interaction between carbon atoms and heteroatoms
  993. Weak C−H/π Interaction Participates in the Diastereoselectivity of a Host−Guest Complex in the Presence of Six Strong Hydrogen Bonds
  994. s-Tetrazine as a new binding unit in molecular recognition of anions
  995. Anion–π interactions: must the aromatic ring be electron deficient?
  996. Internal rotation in squaramide and related compounds. A theoretical ab initio study
  997. Anion–π Interactions: Do They Exist?
  998. Predicting experimental complexation-induced changes in NMR chemical shift for complexes between metalloporphyrins and ligands using the Ab initio/GIAO-HF methodology
  999. Counterintuitive interaction of anions with benzene derivatives
  1000. Quantification of Aromaticity in Oxocarbons: The Problem of the Fictitious “Nonaromatic” Reference System

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