All Stories

  1. Regium−π Bonds Involving Nucleobases: Theoretical Study and Biological Implications
  2. Computational Study of Driving Forces in ATSP, PDIQ, and P53 Peptide Binding: C═O···C═O Tetrel Bonding Interactions at Work
  3. 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
  4. Benzothienoiodolium Cations Doubly Bonded to Anions via Halogen–Chalcogen and Halogen–Hydrogen Supramolecular Synthons
  5. 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
  6. The Origin of Anion−π Autocatalysis
  7. A Comprehensive Ab Initio Study of Halogenated A···U and G···C Base Pair Geometries and Energies
  8. Novel Chalcogen Bond Donors Derived from [3+2] Cycloaddition Reaction between 2-Pyridylselenyl Reagents and Isocyanates: Synthesis, Structures and Theoretical Studies
  9. Cocrystallization of Antifungal Compounds Mediated by Halogen Bonding
  10. Substituent Effects in Tetrel Bonds Involving Aromatic Silane Derivatives: An ab initio Study
  11. Halogen Bond‐Involving Supramolecular Assembly Utilizing Carbon as a Nucleophilic Partner of I⋅⋅⋅C Non‐covalent Interaction
  12. Rational Coformer Selection in the Development of 6-Propyl-2-Thiouracil Pharmaceutical Cocrystals
  13. 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
  14. Square Planar Pt(II) Ion as Electron Donor in Pnictogen Bonding Interactions
  15. Geminal Charge-Assisted Tetrel Bonds in Bis-Pyridinium Methylene Salts
  16. Experimental and Theoretical Study of Tetrel Bonding and Noncovalent Interactions in Hemidirected Lead(II) Phosphorodithioates: An Implication on Crystal Engineering
  17. Supramolecular assemblies involving energetically significant unconventional π(CN)-π and anion-π(nitrile) contacts in Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies
  18. Cooperativity effects in a new pterostilbene/phenanthroline cocrystal
  19. Supramolecular Assemblies in Pyridine- and Pyrazole-Based Coordination Compounds of Co(II) and Ni(II): Characterization, Hirshfeld Analysis and Theoretical Studies
  20. Matere Bonds in Technetium Compounds: CSD Survey and Theoretical Considerations
  21. Se⋯π Chalcogen Bonding in 1,2,4-Selenodiazolium Tetraphenylborate Complexes
  22. Designing of a Zn(ii)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity
  23. 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
  24. σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(vii)
  25. σ-Hole triel bonds in aluminium derivatives
  26. Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs
  27. 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
  28. Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study
  29. 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
  30. Halogen bonding between metal-bound I3− and unbound I2: the trapped I2⋯I3− intermediate in the controlled assembly of copper(i)-based polyiodides
  31. 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
  32. Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials
  33. Group-10 π-hole⋯dz2[MII] interactions: a theoretical study of model systems inspired by CSD structures
  34. Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid
  35. Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles
  36. Interchangeability and Disorder in the Solid‐State Structures of “Two Wall” Calix[4]pyrroles Equipped with Iodine and Ethynyl para ‐Substituents
  37. 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
  38. Selenoxides as Excellent Chalcogen Bond Donors: Effect of Metal Coordination
  39. 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
  40. Robust Supramolecular Dimers Derived from Benzylic-Substituted 1,2,4-Selenodiazolium Salts Featuring Selenium⋯π Chalcogen Bonding
  41. Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity
  42. Pnictogen‐Bonding Catalysts, Compared to Tetrel‐Bonding Catalysts: More Than Just Weak Lewis Acids
  43. Stacking Interactions: A Supramolecular Approach to Upgrade Weak Halogen Bond Donors
  44. 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) ...
  45. Dicarboxylic Acid-Based Co-Crystals of Pyridine Derivatives Involving Structure Guiding Unconventional Synthons: Experimental and Theoretical Studies
  46. 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
  47. Anion···Anion [AuI4]−···[AuI2]− Complex Trapped in the Solid State by Tetramethylammonium Cations
  48. Synthesis and X‐ray Characterization of 4,5‐Dihydropyrazolyl‐Thiazoles Bearing a Coumarin Moiety: On the Importance of Antiparallel π‐Stacking
  49. Crystallographic and Theoretical Study of Osme Bonds in Nitrido-Osmium(VI) Complexes
  50. Isocyanide and Cyanide Entities Form Isostructural Halogen Bond-Based Supramolecular Networks Featuring Five-Center Tetrafurcated Halogen···C/N Bonding
  51. Benzene, an Unexpected Binding Unit in Anion–π Recognition: The Critical Role of CH/π Interactions
  52. Halogen···Halogen and π–Hole Interactions in Supramolecular Aggregates and Electrical Conductivity Properties of Cu(II)-Based 1D Coordination Polymers
  53. Investigation of solid state architectures in tetrazolyl tryptophol stabilized by crucial aromatic interactions and hydrogen bonding: Experimental and theoretical analysis
  54. The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative
  55. DFT–Assisted Structure Determination from Powder X-ray Diffraction Data of a New Zonisamide/ϵ-Caprolactam Cocrystal
  56. Noncovalent Interactions Involving Group 6 in Biological Systems: The Case of Molybdopterin and Tungstopterin Cofactors
  57. Revision of the Crystal Structure of the Orthorhombic Polymorph of Oxyma: On the Importance of π–Hole Interactions and Their Interplay with H–Bonds
  58. Towards Anion Recognition and Precipitation with Water-Soluble 1,2,4-Selenodiazolium Salts: Combined Structural and Theoretical Study
  59. Role of Redox-Inactive Metal Ions in Modulating the Reduction Potential of Uranyl Schiff Base Complexes: Detailed Experimental and Theoretical Studies
  60. 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...
  61. Metal Coordination Enhances Chalcogen Bonds: CSD Survey and Theoretical Calculations
  62. Direct conversion of white phosphorus to versatile phosphorus transfer reagents via oxidative onioation
  63. Substituent Effects in π‐Hole Regium Bonding Interactions Between Au( p ‐X‐Py) 2 Complexes and Lewis Bases: An ab initio Study
  64. Anion-Responsive Fluorescent Supramolecular Gels
  65. Topochemical [2 + 2] Cycloaddition in a Two-Dimensional Metal–Organic Framework via SCSC Transformation Impacts Halogen···Halogen Interactions
  66. Anion–π Catalysis Enabled by the Mechanical Bond**
  67. Anion–π Catalysis Enabled by the Mechanical Bond**
  68. Multicomponent Solids of DL-2-Hydroxy-2-phenylacetic Acid and Pyridinecarboxamides
  69. 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
  70. Frontispiece: Metal Centers as Nucleophiles: Oxymoron of Halogen Bond‐Involving Crystal Engineering
  71. Oxalic Acid, a Versatile Coformer for Multicomponent Forms with 9-Ethyladenine
  72. 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
  73. An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations
  74. Host–guest complexes vs. supramolecular polymers in chalcogen bonding receptors: an experimental and theoretical study
  75. Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands
  76. 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
  77. Chameleonic metal-bound isocyanides: a π-donating CuI-center imparts nucleophilicity to the isocyanide carbon toward halogen bonding
  78. 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 {...
  79. 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 ...
  80. 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
  81. Insight into charge transportation in cadmium based semiconducting organic–inorganic hybrid materials and their application in the fabrication of photosensitive Schottky devices
  82. Combined crystallographic and computational investigation of the solvent disorder present in a new tipiracil hydrochloride methanol solvate–hydrate
  83. Do 2-coordinate iodine(i) and silver(i) complexes form nucleophilic iodonium interactions (NIIs) in solution?
  84. Enhancing chalcogen bonding by metal coordination
  85. Inorganic–organic {dz2-MIIS4}⋯π-hole stacking in reverse sandwich structures: the case of cocrystals of group 10 metal dithiocarbamates with electron-deficient arenes
  86. Iodine(i) complexes incorporating sterically bulky 2-substituted pyridines
  87. Metallophilic interactions in silver(i) dicyanoaurate complexes
  88. Static discrete disorder in the crystal structure of iododiflunisal: on the importance of hydrogen bond, halogen bond and π-stacking interactions
  89. Expanding the toolbox of the coinage bond: adducts involving new gold(iii) derivatives and bioactive molecules
  90. On metal coordination of neutral open-shell P-ligands focusing on phosphanoxyls, their electron residence and reactivity
  91. 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
  92. Hydrogen and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights
  93. On the energetic stability of halogen bonds involving metals: implications in crystal engineering
  94. 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
  95. Combined computational/experimental investigation of new cocrystals of the drug bosentan
  96. Periodate anions as a halogen bond donor: formation of anion⋯anion dimers and other adducts
  97. Unprecedented {dz2-CuIIO4}⋯π-hole interactions: the case of a cocrystal of a Cu(ii) bis-β-diketonate complex with 1,4-diiodotetrafluoro-benzene
  98. Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6 : 7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group
  99. 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
  100. Heterovalent chalcogen bonding: supramolecular assembly driven by the occurrence of a tellurium(ii)⋯Ch(i) (Ch = S, Se, Te) linkage
  101. 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
  102. Supramolecular gold(i) vesicles: an in-depth study of their aggregation process
  103. Importance of Cu and Ag regium–π bonds in supramolecular chemistry and biology: a combined crystallographic and ab initio study
  104. 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
  105. Polymorphism in the 1/1 Pterostilbene/Picolinic Acid Cocrystal
  106. Novel Polymorphic Cocrystals of the Non-Steroidal Anti-Inflammatory Drug Niflumic Acid: Expanding the Pharmaceutical Landscape
  107. Metalloid Chalcogen–pnictogen σ-hole bonding competition in stibanyl telluranes
  108. On the Importance of Pnictogen and Chalcogen Bonding Interactions in Supramolecular Catalysis
  109. On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms
  110. Se⋅⋅⋅O/S and S⋅⋅⋅O Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study
  111. Metal Centers as Nucleophiles: Oxymoron of Halogen Bond‐Involving Crystal Engineering
  112. On the Importance of σ–Hole Interactions in Crystal Structures
  113. Uracil Derivatives for Halogen-Bonded Cocrystals
  114. An insight into the supramolecular interactions in two linear polyvanadates
  115. Importance of Anion−π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study
  116. Anion⋅⋅⋅Anion Interactions Involving σ‐Holes of Perrhenate, Pertechnetate and Permanganate Anions
  117. Unconventional π-hole and Semi-coordination regium bonding interactions directed supramolecular assemblies in pyridinedicarboxylato bridged polymeric Cu(II) Compounds: Antiproliferative evaluation and theoretical studies
  118. Charge Assisted S/Se Chalcogen Bonds in SAM Riboswitches: A Combined PDB and ab Initio Study
  119. Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements
  120. Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements
  121. Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function
  122. Diaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving μ3-I···(Cl,Cl,Pt) Halogen Bond
  123. 1-Ethyluracil, a New Scaffold for Preparing Multicomponent Forms: Synthesis, Characterization, and Computational Studies
  124. Diastereoselective Amplification of a Mechanically Chiral [2]Catenane
  125. 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
  126. Anion⋅⋅⋅Anion Coinage Bonds: The Case of Tetrachloridoaurate
  127. Anion⋅⋅⋅Anion Coinage Bonds: The Case of Tetrachloridoaurate
  128. Dicopper(II)-EDTA Chelate as a Bicephalic Receptor Model for a Synthetic Adenine Nucleoside
  129. Spodium bonding and other non-covalent interactions assisted supramolecular aggregation in a new mercury(II) complex of a nicotinohydrazide derivative
  130. Azine Steric Hindrances Switch Halogen Bonding to N ‐Arylation upon Interplay with σ‐Hole Donating Haloarenenitriles
  131. Using Room Temperature Phosphorescence of Gold(I) Complexes for PAHs Sensing
  132. Utility of Three-Coordinate Silver Complexes Toward the Formation of Iodonium Ions
  133. Weak Interactions in Cocrystals of Isoniazid with Glycolic and Mandelic Acids
  134. Bifurcated Halogen Bonding Involving Two Rhodium(I) Centers as an Integrated σ-Hole Acceptor
  135. Ligand structure-driven self-assembly of Zn(NCS)2 with a carbohydrazone ligand: A possible intermediate towards a [2 × 2] metallic grid
  136. 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
  137. 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
  138. H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ4-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate
  139. 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
  140. A supramolecular 3D structure constructed from a new metal chelate self-assembled from Sn(NCS)2 and phenyl(pyridin-2-yl)methylenepicolinohydrazide
  141. An insight into the role of supramolecular interactions to stabilize the solid state structure of an octahedral nickel(II) diamine complex
  142. Semiconducting properties of pyridyl appended linear dicarboxylate based coordination polymers: theoretical predictionviaDFT study
  143. A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex
  144. Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight
  145. 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
  146. Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain
  147. 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
  148. A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations
  149. 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(
  150. Molecular 1,1′-bifunctional mixed-valence P–P compounds, enabled through metal complexation
  151. Supramolecular network of a framework material supported by the anion–π linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights
  152. 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
  153. Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes
  154. On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand
  155. Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions
  156. A convenient access to fluorophosphonium triflate salts by electrophilic fluorination and anion exchange
  157. A homonuclear π-system with a singlet carbene-type α and a nucleophilic β phosphorus – the first use in P-heterocyclic synthesis
  158. An experimental and theoretical exploration of supramolecular interactions and photoresponse properties of two Ni(ii) complexes
  159. Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts
  160. Biological halogen bonds in protein–ligand complexes: a combined QTAIM and NCIPlot study in four representative cases
  161. 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...
  162. Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations
  163. Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration
  164. Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand
  165. Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions
  166. Dual role of silver in a fluorogenic N-squaraine probe based on Ag(i)–π interactions
  167. Electron belt-to-σ-hole switch of noncovalently bound iodine(i) atoms in dithiocarbamate metal complexes
  168. Glutamate carboxypeptidase II as a model system for designing host–guest units: a theoretical approach
  169. Highly polar stacking interactions wrap inorganics in organics: lone-pair–π-hole interactions between the PdO4 core and electron-deficient arenes
  170. Iodonium complexes of the tertiary amines quinuclidine and 1-ethylpiperidine
  171. Scientists find an easy way to produce novel macrocyclic molecules containing iodine
  172. Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen
  173. 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
  174. Novel ‘main-part’ isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties
  175. Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(i) and silver(i) complexes
  176. Selenium chalcogen bonds are involved in protein–carbohydrate recognition: a combined PDB and theoretical study
  177. Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering?
  178. 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...
  179. 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
  180. 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
  181. 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
  182. Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems
  183. Ultrashort Hδ+⋯Hδ− intermolecular distance in a supramolecular system in the solid state
  184. Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights
  185. Unprecedented [d9]Cu⋯[d10]Au coinage bonding interactions in {Cu(NH3)4[Au(CN)2]}+[Au(CN)2]− salt
  186. X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones
  187. π-Hole spodium bonding in tri-coordinated Hg(ii) complexes
  188. Sildenafil–Resorcinol Cocrystal: XRPD Structure and DFT Calculations
  189. Interconvertible Hydrochlorothiazide–Caffeine Multicomponent Pharmaceutical Materials: A Solvent Issue
  190. Bifurcated μ2-I···(N,O) Halogen Bonding: The Case of (Nitrosoguanidinate)NiII Cocrystals with Iodine(I)-Based σ-Hole Donors
  191. Supramolecular architectures of Mn(NCS)2 complexes with N'-(1-(pyridin-4-yl)ethylidene)picolinohydrazide and N'-(phenyl(pyridin-4-yl)methylene)isonicotinohydrazide
  192. 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
  193. Reaction of Cu(II) Chelates with Uranyl Nitrate to Form a Coordination Complex or H-Bonded Adduct: Experimental Observations and Rationalization by Theoretical Calculations
  194. 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
  195. Energetically Significant Cooperative π-stacked Ternary Assemblies in Ni(II) Phenanthroline Compounds involving Discrete Water Clusters: Anticancer Activities and Theoretical Studies
  196. 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
  197. Synthesis, X-ray characterization, Hirshfeld surface analysis and DFT calculations on tetrazolyl-phenol derivatives: H-bonds vs C–H…π/π…π interactions
  198. 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
  199. 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
  200. In-vitro prediction of the membranotropic action of emerging organic contaminants using a liposome-based multidisciplinary approach
  201. Naphthalenediimides with Cyclic Oligochalcogenides in Their Core
  202. 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
  203. Intramolecular Spodium Bonds in Zn(II) Complexes: Insights from Theory and Experiment
  204. Tetrel Bonding Interactions Involving Carbon at Work: Recent Advances in Crystal Engineering and Catalysis
  205. Semicoordination Bond Breaking and Halogen Bond Making Change the Supramolecular Architecture of Metal-Containing Aggregates
  206. Regium−π Bonds Are Involved in Protein–Gold Binding
  207. Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide
  208. DFT Analysis of Uncommon π···H-Bond Array Interaction in a New Pterostilbene/Theophylline Cocrystal
  209. Two New Hydrogen-bonded Supramolecular Dioxo-molybdenum(VI) Complexes Based on Acetyl-Hydrazone Ligands: Synthesis, Crystal Structure and DFT Studies
  210. 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
  211. Exploration of Br⋯O halogen bonding interactions in dinuclear vanadium(V) complexes with Schiff base ligands
  212. New metal chelate constructed from Ni(NCS)2 and 1,2-diphenyl-1,2-bis((phenyl(pyridin-2-yl)methylene)hydrazono)ethane
  213. σ- and π-Hole Interactions
  214. 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
  215. Noble Gas Bonding Interactions Involving Xenon Oxides and Fluorides
  216. Engineering Crystals Using sp 3 ‐C Centred Tetrel Bonding Interactions
  217. Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements
  218. Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements
  219. Correction to “Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn2Fe Trimer”
  220. Novel Pb(II) Complexes: X-Ray Structures, Hirshfeld Surface Analysis and DFT Calculations
  221. 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
  222. Halogen Bonds in Protein Nucleic Acid Recognition
  223. Quantifying Intramolecular Halogen Bonds in Nucleic Acids: A Combined Protein Data Bank and Theoretical Study
  224. π-Hole···dz2[PtII] Interactions with Electron-Deficient Arenes Enhance the Phosphorescence of PtII-Based Luminophores
  225. Role of Imidazole Co–Ligand in the Supramolecular Network of a Co(II) Complex with Sulfadiazine: Crystal Structure, Hirshfeld Surface Analysis and Energetic Calculations
  226. Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Metamagnetic Mn2Fe Trimer
  227. Supramolecular Assembly of Metal Complexes by (Aryl)I⋅⋅⋅d[Pt II ] Halogen Bonds
  228. Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts
  229. Novel Cd (II) Coordination Polymers Afforded with EDTA or Trans-1,2-Cdta Chelators and Imidazole, Adenine, or 9-(2-Hydroxyethyl) Adenine Coligands
  230. Covalent and Non-covalent Noble Gas Bonding Interactions in XeFn Derivatives (n = 2–6): A Combined Theoretical and ICSD Analysis
  231. 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
  232. Straightforward Three-Component Synthesis of N′,N′′-Disubstituted N-Alkyl-1,3,5-Triazinanes
  233. 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)
  234. Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigation
  235. Front Cover: Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigations (Chem. Eur. J. 21/2020)
  236. 9-Ethyladenine: Mechanochemical Synthesis, Characterization, and DFT Calculations of Novel Cocrystals and Salts
  237. Charge‐Assisted Chalcogen Bonds: CSD and DFT Analyses and Biological Implication in Glucosidase Inhibitors
  238. Iridium(III) coordination of N(6) modified adenine derivatives with aminoacid chains
  239. Not Only Hydrogen Bonds: Other Noncovalent Interactions
  240. Supramolecular architecture constructed from the hemidirected lead(II) complex with N'-(4-hydroxybenzylidene)isonicotinohydrazide
  241. Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigations
  242. 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
  243. Halogen interactions in dinuclear copper(II) 2,4-dibromophenoxyacetate – crystal structure and quantum chemical calculations
  244. A combined experimental and theoretical study on an ionic cobalt(III/II) complex with a Schiff base ligand
  245. 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
  246. Ionpair-π interactions favor cell penetration of arginine/tryptophan-rich cell-penetrating peptides
  247. Molecular and supramolecular recognition patterns in ternary copper(II) or zinc(II) complexes with selected rigid-planar chelators and a synthetic adenine-nucleoside
  248. Synthesis, reactivity, X-ray characterization and docking studies of N7/N9-(2-pyrimidyl)-adenine derivatives
  249. σ/π-Hole noble gas bonding interactions: Insights from theory and experiment
  250. The Effect of Guest Metal Ions on the Reduction Potentials of Uranium(VI) Complexes: Experimental and Theoretical Investigations
  251. On the Role of Water as a Catalyst in Prebiotic Chemistry
  252. 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
  253. Front Cover: Through-Space “α-Effect” between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives (Eur. J. Org. Chem. 2/2020)
  254. 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
  255. Metal–organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity
  256. Self-assembly of amphiphilic aryl-squaramides in water driven by dipolar π–π interactions
  257. 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
  258. Combined experimental and computational studies on preferential CO2 adsorption over a zinc-based porous framework solid
  259. DFT analysis of supra-molecular assemblies of substituted 4H-pyran derivatives
  260. Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex
  261. Halogen⋯halogen interactions in decahalo-closo-carboranes: CSD analysis and theoretical study
  262. 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...
  263. Binuclear and tetranuclear Zn(ii) complexes with thiosemicarbazones: synthesis, X-ray crystal structures, ATP-sensing, DNA-binding, phosphatase activity and theoretical calculations
  264. Charge-assisted hydrogen bond and nitrile⋯nitrile interaction directed supramolecular associations in Cu(ii) and Mn(ii) coordination complexes: anticancer, hematotoxicity and theoretical studies
  265. Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine Schiff base: DNA binding, anticancer activity and histidine sensing ability of the complex
  266. Charge assisted halogen and pnictogen bonds: insights from the Cambridge Structural Database and DFT calculations
  267. 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
  268. Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations
  269. 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
  270. Metal removal from the secondary building unit of bio-MOF-1 by adenine N6-alkylation while retaining the overall 3D porous topology
  271. Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure
  272. Radical⋯radical chalcogen bonds: CSD analysis and DFT calculations
  273. Selective functionalisation of aromatic alcohols with supramolecularly regulated gold(i) catalysts
  274. Asymmetric [N–I–N]+ halonium complexes
  275. Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations
  276. A late appearing polymorph of nutraceutical pterostilbene
  277. 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...
  278. Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine–valeric acid, adenine–hexanoic acid and adenine–gabapentine
  279. Diaryliodonium as a double σ-hole donor: the dichotomy of thiocyanate halogen bonding provides divergent solid state arylation by diaryliodonium cations
  280. Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group
  281. Recurrent π–π stacking motifs in three new 4,5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations
  282. A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(iii) complexes
  283. Recurrent motifs in pharmaceutical cocrystals involving glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations
  284. Methylene spacer regulated variation in supramolecular assembly of zinc(ii) dicyanamide complexes with reduced Schiff base ligands: synthesis, structure and DFT study
  285. A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(iii) complexes
  286. 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
  287. 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
  288. Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity
  289. Unravelling the electronic nature of C–F⋯O–C non-covalent interaction in proteins and small molecules in the solid state
  290. On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate–polyamine binary ligand systems
  291. Oxalato bridged coordination polymer of manganese(iii) involving unconventional O⋯π-hole(nitrile) and antiparallel nitrile⋯nitrile contacts: antiproliferative evaluation and theoretical studies
  292. Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions
  293. A new spodium bond driven coordination polymer constructed from mercury(ii) azide and 1,2-bis(pyridin-2-ylmethylene)hydrazine
  294. 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...
  295. Synthesis, structural and DFT interpretation of a Schiff base assisted Mn(III) derivative
  296. Zn(II) and Co(II) derivatives anchored with scorpionate precursor: Antiproliferative evaluation in human cancer cell lines
  297. On the importance of π-hole spodium bonding in tricoordinated HgII complexes
  298. Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties
  299. Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties
  300. Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties
  301. 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
  302. 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
  303. Synthesis and characterization of a manganese(III) schiff base complex and exploration of Br···Br interaction in the solid state structure of the complex
  304. Antiproliferative evaluation and supramolecular association in Mn(II) and Zn(II) bipyridine complexes: Combined experimental and theoretical studies
  305. Through-Space “α-Effect” between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives
  306. A combined experimental and computational study of a supramolecular assembly based on cationic zinc(II)-ethanesulfonate
  307. Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicarboxylic acid and copper ion: X-ray crystallography and DFT calculations
  308. Definition of the chalcogen bond (IUPAC Recommendations 2019)
  309. 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
  310. π‐Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures
  311. Surface Modification of Pseudoboehmite-Coated Aluminum Plates with Squaramic Acid Amphiphiles
  312. 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
  313. Anion–π Interactions in Light‐Induced Reactions: Role in the Amidation of (Hetero)aromatic Systems with Activated N ‐Aryloxyamides
  314. 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
  315. Nitropyridine-1-Oxides as Excellent π-Hole Donors: Interplay between σ-Hole (Halogen, Hydrogen, Triel, and Coordination Bonds) and π-Hole Interactions
  316. 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
  317. 5,5'-Dibenzoimidazole as Building Block for a New 3D Co(II) Coordination Polymer: A Combined EPR and DFT Study Using UB3LYP Model
  318. Energetically significant unconventional π-π contacts involving fumarate in a novel coordination polymer of Zn(II): In-vitro anticancer evaluation and theoretical studies
  319. Supramolecular Assemblies in Pb(II) Complexes with Hydrazido-Based Ligands
  320. Cu(II) and Co(II) coordination solids involving unconventional parallel nitrile(π)‒nitrile(π) and energetically significant cooperative hydrogen bonding: Experimental and theoretical studies
  321. 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
  322. 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
  323. Gallic Acid Dimer As a Double π–Hole Donor: Evidence from X-ray, Theoretical Calculations, and Generalization from the Cambridge Structural Database
  324. Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link
  325. Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link
  326. Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) 3,5-dimethylpyrazole complexes: anticancer evaluation and theoretical studies
  327. Spectral, electrochemical and DFT studies of a trimetallic CuII Derivative: Antimycobacterial and cytotoxic activity
  328. Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study
  329. Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives
  330. Theoretical ab Initio Study on Cooperativity Effects between Nitro π‐hole and Halogen Bonding Interactions
  331. Theoretical and Crystallographic Study of Lead(IV) Tetrel Bonding Interactions
  332. Tetrel bonding interactions at work: Impact on tin and lead coordination compounds
  333. 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
  334. 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
  335. Anion–π Catalysis
  336. From P-Functional Thiazol-2-thione Derivatives to Phosphaalkenes
  337. A novel oxalato bridged supramolecular ternary complex of Cu(II) involving energetically significant π-hole interaction: Experimental and theoretical studies
  338. A triple alkoxo bridged dinuclear cobalt(III) complex mimicking phosphatase and showing ability to degrade organic dye contaminants by photocatalysis
  339. Observation of an anion⋯anion interaction in a square planar copper(II) Schiff base complex: DFT study and CSD analysis
  340. 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
  341. Supramolecular association involving nitrile–nitrile interactions in polymeric Mn(II) coordination complexes: A combined experimental and theoretical study
  342. EPR, DFT and electrochemical interpretation of a Cu(II) derivative incorporating a Schiff base precursor
  343. Supramolecular coordination chemistry of group IIB compounds
  344. Hydrogen Bond versus Halogen Bond in HXOn (X = F, Cl, Br, and I) Complexes with Lewis Bases
  345. Synthesis, structure, physicochemical characterization and theoretical evaluation of non-covalent interaction energy of a polymeric copper(II)-hydrazone complex
  346. Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer
  347. H-Bonded anion–anion complexes in fentanyl citrate polymorphs and solvates
  348. 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding
  349. Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes
  350. Halogen bonding effects on the outcome of reactions at metal centres
  351. Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations
  352. On the preferences of five-membered chelate rings in coordination chemistry: insights from the Cambridge Structural Database and theoretical calculations
  353. Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts
  354. On the importance of antiparallel π–π interactions in the solid state of isatin-based hydrazides
  355. Unexpected chalcogen bonds in tetravalent sulfur compounds
  356. 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
  357. Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid adenine-β-alanine and adenine-GABA molecules
  358. Formation of an imidazoliumyl-substituted [(LC)4P4]4+tetracation and transition metal mediated fragmentation and insertion reaction (LC= NHC)
  359. “Like–like” tetrel bonding interactions between Sn centres: a combinedab initioand CSD study
  360. Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study
  361. Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions
  362. 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
  363. Influence of the aromatic surface on the capacity of adsorption of VOCs by magnetite supported organic–inorganic hybrids
  364. Intramolecular π–hole interactions with nitro aromatics
  365. Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker
  366. closo-Carboranes as dual CH⋯π and BH⋯π donors: theoretical study and biological significance
  367. Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands
  368. Chloranilate bridged dinuclear copper(ii) complexes: syn–anti geometry tuned by the steric factor and supramolecular interactions
  369. Controlled scrambling reactions to polyphosphanes via bond metathesis reactions
  370. 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
  371. Photosensitive Schottky barrier diode behavior of a semiconducting Co(iii)–Na complex with a compartmental Schiff base ligand
  372. Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight
  373. Diethylaminophenyl-based Schiff base Cu(ii) and V(iv) complexes: experimental and theoretical studies and cytotoxicity assays
  374. A New phenoxido/trifluoroacetato bridged heterometallic NiII2CuII derivative: Structure, EPR interpretation and DFT computation
  375. Correction: 2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π–π stacking and hydrogen bonding
  376. DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study
  377. 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
  378. Supramolecular association in Cu(II) and Co(II) coordination complexes of 3,5-dimethylpyrazole: Experimental and theoretical studies
  379. 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
  380. Primary Anion−π Catalysis and Autocatalysis
  381. Werner Type Clathrates Involving Guest Benzoic Acid and Benzoate in Discrete Mn(II) Hosts: Experimental and Theoretical Studies
  382. A Ni(II) derivative incorporating tetradentate Schiff base precursor: Structure, spectral, electrochemical and DFT interpretation
  383. S⋅⋅⋅Sn Tetrel Bonds in the Activation of Peroxisome Proliferator-Activated Receptors (PPARs) by Organotin Molecules
  384. Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW12O40]4−: a synthetic, structural and computational investigation
  385. Bioactive Heterometallic CuII–ZnII Complexes with Potential Biomedical Applications
  386. Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences
  387. Synthesis, structures, and investigation of noncovalent interactions of 1,3-dimethyl-5-(4ʹ/3ʹ-pyridylazo)-6-aminouracil and their Ni(II) complexes
  388. 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
  389. 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
  390. A Strategy to Synthesize Molecular Knots and Links Using the Hydrophobic Effect
  391. Frontispiece: Adsorption and Quantification of Volatile Organic Compounds (VOCs) by using Hybrid Magnetic Nanoparticles
  392. Intramolecular Noncovalent Carbon Bonding Interaction Stabilizes the cis Conformation in Acylhydrazones
  393. Adsorption and Quantification of Volatile Organic Compounds (VOCs) by using Hybrid Magnetic Nanoparticles
  394. Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization
  395. Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study
  396. Synthesis of Multinuclear Zn(II) Complexes Involving 8‐Aminoquinoline‐ Based Schiff‐Base Ligand: Structural Diversity, DNA Binding Studies and Theoretical Calculations.
  397. Mixed-ligand complexes of zinc(II) with 1,1-dicyanoethylene-2,2-dithiolate and N-donor ligands: A combined experimental and theoretical study
  398. Regium-π vs Cation-π Interactions in M2 and MCl (M = Cu, Ag and Au) Complexes with Small Aromatic Systems: An ab Initio Study
  399. 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
  400. Remote Control of Anion-π Catalysis on Fullerene-Centered Catalytic Triads
  401. Cu(II)–N6-Alkyladenine Complexes: Synthesis, X-ray Characterization and Magnetic Properties
  402. Copper(II) polyamine chelates as efficient receptors for acyclovir: syntheses, crystal structures and dft study
  403. Syntheses of four new asymmetric Schiff bases and their Cu(II) complexes: Theoretical calculations to rationalize the packing of molecules in the crystals
  404. Regium-π bonds: An Unexplored Link between Noble Metal Nanoparticles and Aromatic Surfaces
  405. Synergistic Anion–(π)n–π Catalysis on π-Stacked Foldamers
  406. Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent Structural Variations and Charge Transport Property Analysis
  407. Chalcogen ‘like-like’ Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study
  408. Anion−π Interactions in Hollow Crystals of a Copper(II)-Cyamelurate Coordination Complex
  409. Estimating the energy of noncovalent interactions in a dioxovanadium(V) Schiff base complex: Exploration of its phenoxazinone synthase like activity
  410. Coordination Polymers Based on Phthalic Acid and Aminopyrazine Ligands: On the Importance of N–H···π Interactions
  411. Synthesis, Substitution, and Oxidation of Imidazole-2-thione Based Tricyclic 1,4-Dihydro-1,4-diphosphinines
  412. Valence-Tautomerism-Driven Aromatic Nucleophilic Substitution in Cobalt-Bound Tetrabromocatecholate Ligands - Influence of Positive Charge at the Ligand Backbone on Phenoxazinone Synthase Activity
  413. Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity
  414. Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands
  415. Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes
  416. 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
  417. A family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions
  418. 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
  419. Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study
  420. Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors
  421. Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine–glycine and adenine–glycylglycine molecules
  422. Experimental and computational investigations of the photosensitive Schottky barrier diode property of an azobenzene based small organic molecule
  423. H-Bonded anion–anion complex trapped in a squaramido-based receptor
  424. Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates
  425. Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization
  426. Lone pair–π vs. σ-hole–π interactions in bromine head-containing oxacalix[2]arene[2]triazines
  427. Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study
  428. 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
  429. One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities
  430. Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations
  431. Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring
  432. 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
  433. Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects
  434. Screening polymorphism in a Ni(ii) metal–organic framework: experimental observations, Hirshfeld surface analyses and DFT studies
  435. Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin
  436. Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation
  437. 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
  438. A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution
  439. 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
  440. A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH
  441. CHAPTER 9. Quantitative Analysis of Weak Non-covalent σ-Hole and π-Hole Interactions
  442. 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
  443. Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study
  444. A Combined Experimental and Theoretical Study to Explore the Importance of σ-Hole Carbon Bonding Interactions in Stabilizing Molecular Assemblies
  445. Theoretical investigation on molecular structure of a new mononuclear copper(II) thiocyanato complex with tridentate Schiff base ligand
  446. A polynuclear and two dinuclear copper(II) Schiff base complexes: Synthesis, characterization, self-assembly, magnetic property and DFT study
  447. Influence of ancillary ligands on preferential geometry and biomimetic catalytic activity in manganese(III)-catecholate systems: A combined experimental and theoretical study
  448. 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
  449. 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
  450. 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
  451. Anion−π Catalysis on Fullerenes
  452. Suitable Interplay between Various Conventional and Unconventional Non-Covalent Interactions in Forming Self-Assembled Supramolecules of Two Ni(II)/Zn(II) Schiff Base Complexes
  453. 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...
  454. 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
  455. Back Cover: On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2 . Radicals: An ab Initio Study (ChemPhysChem 16/2017)
  456. 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
  457. Phosphatase Mimicking Activity of Two Zinc(II) Schiff Base Complexes with Zn2 O2  Cores: NBO Analysis and MEP Calculation to Estimate Non-Covalent Interactions
  458. Accidental Orthogonality Induced Weak Magnetic Coupling in a Dinuclear Copper(II) Complex: Exploration of Unconventional C-H⋅⋅⋅π(SCN) Interactions and Catechol Oxidase Activity
  459. Importance of R–CF3···O Tetrel Bonding Interactions in Biological Systems
  460. Synthetic Modulation of a Chemosensor Affords Target Metal Ion Switch from Zn2+to Al3+
  461. Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π–hole interactions: A combined experimental and theoretical analysis
  462. Molecular electrostatic potential and “atoms-in-molecules” analyses of the interplay between π-hole and lone pair···π/X-H···π/metal···π interactions
  463. On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2 . Radicals: An ab Initio Study
  464. On the Importance of Halogen–Halogen Interactions in the Solid State of Fullerene Halides: A Combined Theoretical and Crystallographic Study
  465. 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
  466. Selective and Reversible Fluoride Complexation from Water by a Cyclic Tri(phosphonio)methanide Dication
  467. Exploring 3D non-interpenetrated metal–organic framework with malonate-bridged Co(II) coordination polymer: structural elucidation and theoretical study
  468. Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene
  469. Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene
  470. 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
  471. Synthesis and crystal structures of three new lead(II) isonicotinoylhydrazone derivatives: Anion controlled nuclearity and dimensionality
  472. Synthesis, Characterization, DFT Study, Catechol Oxidase and Phenoxazinone Synthase Like Activities of Two New Manganese(IV) Schiff Base Complexes
  473. On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications
  474. Competition between lone pair-π, halogen-π and triel bonding interactions involving BX3 (X = F, Cl, Br and I) compounds: an ab initio study
  475. Pseudohalides regulated diverse helicity in copper(II) coordination polymers derived from a bis(aminoethoxy) ligand
  476. Introducing Supramolecular Interactions into Robust Bis(tetrabromocatecholate) Chelated Manganese(III) Systems and Biomimetic Catalytic Activity
  477. NO3− anions can act as Lewis acid in the solid state
  478. Design of end-on cyanato bridged trinuclear Cu(II) Schiff base complex with salen type Schiff base ligand: synthesis, structural investigation and DFT study
  479. Dangling and Hydrolyzed Ligand Arms in [Mn3] and [Mn6] Coordination Assemblies: Synthesis, Characterization, and Functional Activity
  480. 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
  481. Fluorescent sensing of Al 3+ by benzophenone based Schiff base chemosensor and live cell imaging applications: Impact of keto-enol tautomerism
  482. New pyridoxal based chemosensor for selective detection of Zn2+: Application in live cell imaging and phosphatase activity response
  483. 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
  484. Melamine-mediated self-assembly of a Cu(II)–methylmalonate complex assisted by π+–π+ and anti-electrostatic H-bonding interactions
  485. 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
  486. Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen charge-transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors
  487. Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymers
  488. The crucial role of chelate-chelate stacking interactions in the crystal structure of a square planar copper(II) complex
  489. Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(ii) Schiff base complexes
  490. A Cd(ii)-based MOF as a photosensitive Schottky diode: experimental and theoretical studies
  491. A Ni-based MOF for selective detection and removal of Hg2+ in aqueous medium: a facile strategy
  492. A Schiff base platform: structures, sensing of Zn(ii) and PPi in aqueous medium and anticancer activity
  493. A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides
  494. A highly selective “ON–OFF” probe for colorimetric and fluorometric sensing of Cu2+in water
  495. A survey of the different roles of polyoxometalates in their interaction with amino acids, peptides and proteins
  496. A trigonal prismatic anionic iron(iii) complex of a radical o-iminobenzosemiquinonate derivative: structural and spectral analyses
  497. Ambiguous reactivity of Li/Cl phosphinidenoid complexes under redox conditions – a novel dichotomy in phosphorus chemistry
  498. Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles
  499. Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study
  500. Concurrent aerogen bonding and lone pair/anion–π interactions in the stability of organoxenon derivatives: a combined CSD and ab initio study
  501. Cooperative influence of pseudohalides and ligand backbone of Schiff-bases on nuclearity and stereochemistry of cobalt(iii) complexes: experimental and theoretical investigation
  502. Donor–acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+(X = H, Me, CN, NCS, OH, Cl, OTf, F)
  503. 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
  504. 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
  505. Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines
  506. 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
  507. 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
  508. Supramolecular nanotubes based on halogen bonding interactions: cooperativity and interaction with small guests
  509. The development of a promising photosensitive Schottky barrier diode using a novel Cd(ii) based coordination polymer
  510. The first X-ray structure of a silver–nucleotide complex: interaction of ion Ag(i) with cytidine-5′-monophosphate
  511. Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide
  512. Unveiling the effects of the in situ generated arene anion radical and imine radical on catecholase like activity: a DFT supported experimental investigation
  513. π–hole interactions at work: crystal engineering with nitro-derivatives
  514. 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)
  515. Outstanding Reviewers for New Journal of Chemistry in 2016
  516. Solvent dependent nuclearity of manganese complexes with a polydentate hydrazone-based ligand and thiocyanate anions
  517. EPR interpretation, magnetism and biological study of a Cu(II) dinuclear complex assisted by a schiff base precursor
  518. Ligand-Flexibility Controlled and Solvent-Induced Nuclearity Conversion in CuII-Based Catecholase Models: A Deep Insight Through Combined Experimental and Theoretical Investigations
  519. Charge-assisted triel bonding interactions in solid state chemistry: A combined computational and crystallographic study
  520. Synthesis and Investigation of Solid- and Solution-State Structures of Nickel(II) Complexes with 1,3-Dimethyl-5-(arylazo)-6-aminouracil
  521. A combined experimental and theoretical study on two new dinuclear cadmium(II) Schiff base complexes with selenocyanate-κ-Se
  522. 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
  523. Irradiation Specified Conformational Change in a Small Organic Compound and Its Effect on Electrical Properties
  524. 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)
  525. On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study
  526. 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
  527. 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
  528. Theoretical study on the degree of delocalization of unpaired spin in two mixed valence copper(II/I) complexes with isomeric chelating diamines and iodide
  529. Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism
  530. π-Hole Interactions Involving Nitro Compounds: Directionality of Nitrate Esters
  531. On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study
  532. 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
  533. A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases
  534. Synthesis, X-ray characterization and DFT study of a novel Fe(III)–pyridine-2,6-dicarboxylic acid N -oxide complex with unusual coordination mode
  535. A combined experimental and theoretical study on supramolecular assemblies in octahedral cobalt(III) salicylaldimine complexes having pendant side arms
  536. Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor Schiff-base and 4,4′-bipyridine ligands: Structural analyses and theoretical studies
  537. Three mononuclear octahedral cobalt(III) complexes with salicylaldimine Schiff bases: Synthesis, characterization, phenoxazinone synthase mimicking activity and DFT study on supramolecular interactions
  538. 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
  539. Asymmetric Hydrogenation of Seven-Membered C=N-containing Heterocycles and Rationalization of the Enantioselectivity
  540. Fluorescent Lipid Nanoparticles as Biomembrane Models for Exploring Emerging Contaminant Bioavailability Supported by Density Functional Theory Calculations
  541. Coordination Behavior of Chelidamic Acid With VV, NiII, FeIII, and CaII: Syntheses, X-ray Characterization and DFT Studies
  542. Anion-dependent structural diversity of cadmium(II) complexes: synthesis, crystal structures, luminescence properties, and unusual C-H/σ supramolecular interactions involving σ-aromatic M2X2cores
  543. σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF3 (Z=N, P, As, and Sb) Compounds and Several Donors
  544. RCH3···O Interactions in Biological Systems: Are They Trifurcated H-Bonds or Noncovalent Carbon Bonds?
  545. Importance of chelate–chelate stacking interactions in crystal structures of square pyramidal copper(II) complexes with two distinct chelating bidentate ligands
  546. Copper(II) pseudohalide complexes with isomeric N2O donor Schiff base ligands: Synthesis, characterization and molecular dynamics simulations of interactions with DNA
  547. Auxiliary Part of Ligand Mediated Unique Coordination Chemistry of Copper (II)
  548. Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations
  549. Tuning the topology of hybrid inorganic–organic materials based on the study of flexible ligands and negative charge of polyoxometalates: A crystal engineering perspective
  550. Valence tautomerism induced nucleophilic ipso substitution in a coordinated tetrabromocatecholate ligand and diverse catalytic activity mimicking the function of phenoxazinone synthase
  551. Tetrel Bonding Interactions
  552. A thorough anion–π interaction study in biomolecules: on the importance of cooperativity effects
  553. Towards design strategies for anion–π interactions in crystal engineering
  554. Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes
  555. 1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon
  556. Zn(II) and Cd(II) complexes with isonicotinoylhydrazone ligand
  557. 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
  558. A novel method for copper(ii) mediated region-selective bromination of aromatic rings under mild conditions
  559. A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)–cadmium(ii) complexes with N2O4-donor compartmental Schiff bases
  560. A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization
  561. Correction: A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
  562. 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
  563. Cationic 5-phosphonio-substituted N-heterocyclic carbenes
  564. Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions
  565. Electrostatically enhanced F⋯F interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study
  566. 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...
  567. Exploring the coordinative adaptation and molecular shapes of trinuclear CuII2MII (M = Zn/Cd) complexes derived from salen type Schiff bases: structural and theoretical studies
  568. Inorganic–organic hybrid materials based on PbBr2and pyridine–hydrazone blocks – structural and theoretical study
  569. 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
  570. On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions
  571. Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(iii)-violurate derivative: a combined experimental and theoretical study
  572. 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
  573. 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)
  574. Theoretical study on σ- and π-hole carbon⋯carbon bonding interactions: implications in CFC chemistry
  575. The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds
  576. CHAPTER 3. Anion–π Interactions: Theoretical Studies, Supramolecular Chemistry and Catalysis
  577. Carboxylate Coordination Assisted Aggregation for Quasi-Tetrahedral and Partial-Dicubane [Cu4] Coordination Clusters
  578. Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides
  579. 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
  580. New chloride-dimethylsulfoxide-iridium(III) complex with histaminium
  581. Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicotinoylhydrazone ligand
  582. 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
  583. Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salts: Solid state and DFT insights
  584. Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding
  585. Theoretical Study on the Dual Behavior of XeO3and XeF4toward Aromatic Rings: Lone Pair-π versus Aerogen-π Interactions
  586. Corrigendum: The Bright Future of Unconventional σ/π-Hole Interactions
  587. The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylate: synthesis, X-ray crystal structure, and DFT studies
  588. Competition between Halogen Bonding and π-Hole Interactions Involving Various Donors: The Role of Dispersion Effects
  589. 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
  590. Unveiling NO2π···CC π–hole interactions: A combined computational and crystallographic study
  591. Enantiopure bisphosphine ligands with appended crown ether groups as regulation sites for Rh-mediated hydrogenations
  592. Supramolecularly Regulated Ligands for Asymmetric Hydroformylations and Hydrogenations
  593. The Bright Future of Unconventional σ/π-Hole Interactions
  594. Nature of Noncovalent Carbon-Bonding Interactions Derived from Experimental Charge-Density Analysis
  595. 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
  596. Aerogen Bonding Interaction: A New Supramolecular Force?
  597. A New Family of Ni4 and Ni6 Aggregates from the Self-Assembly of [Ni2] Building Units: Role of Carboxylate and Carbonate Bridges
  598. Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride–π Interactions in Solution
  599. Hydrogen Bond, π-π, and CH-π Interactions Governing the Supramolecular Assembly of Some Hydrazone Ligands and Their MnIIComplexes - Structural and Theoretical Interpretation
  600. Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII = Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study
  601. A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline
  602. Directionality of π-holes in nitro compounds
  603. Cadmium(ii) complexes containing N,N′-dimethylviolurate as ligand or counteranion: synthesis, characterization, crystal structures and DFT study
  604. Unprecedented structural variations in trinuclear mixed valence Co(ii/iii) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities
  605. Surprising behaviour of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes
  606. Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis
  607. From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide–tetradentate Schiff base complexes
  608. Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)2− based one-dimensional linear coordination polymer
  609. π-hole interaction involving nitro groups
  610. The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions
  611. Correction: Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis
  612. Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2′-pyridyl)-pyrazole-Cu(ii)
  613. Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline
  614. Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand
  615. Application of a novel 2D cadmium(ii)-MOF in the formation of a photo-switch with a substantial on–off ratio
  616. 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
  617. A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
  618. Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(iii) Schiff base complexes: a combined experimental and computational study
  619. π-Hole aerogen bonding interactions
  620. On the nature of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes
  621. 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
  622. 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
  623. Anion-π Interactions in Supramolecular Chemistry and Catalysis
  624. Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of nickel(II), cobalt(II) and zinc(II) mononuclear Schiff base complexes
  625. Synthesis, structure and DFT study of a chelidamic acid based Cu coordination polymer: On the importance of π–π interactions and hexameric water clusters
  626. 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
  627. Electronic Structure of N2P2 Four-Membered Rings and the Effect of Their Ligand Coordination to M(CO)5 (Cr, Mo, and W)
  628. Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)
  629. 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
  630. A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer
  631. Experimental and Computational Study of Counterintuitive ClO4–···ClO4– Interactions and the Interplay between π+–π and Anion···π+ Interactions
  632. 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
  633. Non-covalent sp3carbon bonding with ArCF3is analogous to CH–π interactions
  634. Structural basis for molecular recognition, theoretical studies and anti-bacterial properties of three bis-uracil derivatives
  635. Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevant catalytic activities of zinc(II) complexes: Experimental and theoretical investigations
  636. Recent developments in the crystal engineering of diverse coordination modes (0–12) for Keggin-type polyoxometalates in hybrid inorganic–organic architectures
  637. Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State
  638. Small Cycloalkane (CN)2CC(CN)2Structures Are Highly Directional Non-covalent Carbon-Bond Donors
  639. Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes
  640. Copper‐Assisted Hemiacetal Synthesis: A Cu II Chain Obtained by a One‐Step in situ Reaction of Picolinaldehyde
  641. Computational study of anion recognition based on tetrel and hydrogen bonding interaction by calix[4]pyrrole derivatives
  642. Synthesis, structural characterization, theoretical calculations and catecholase mimetic activity of manganese-Schiff base complexes
  643. Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold
  644. Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives
  645. Long-Range Effects in Anion-π Interactions: Their Crucial Role in the Inhibition Mechanism ofMycobacterium TuberculosisMalate Synthase
  646. 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)
  647. Electronic Structure of N2P2Four-Membered Rings
  648. On the relationship between ring strain energies and ‘atoms-in-molecules’ properties in N2P2 rings
  649. Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine)
  650. Molecular Recognition of Nucleotides in Water by Scorpiand-Type Receptors Based on Nucleobase Discrimination
  651. Thermodynamic Characterization of Halide−π Interactions in Solution Using “Two-Wall” Aryl Extended Calix[4]pyrroles as Model System
  652. pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study
  653. Syntheses, structures, properties and DFT study of hybrid inorganic–organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates
  654. Substituent effects in cation–π interactions revisited: a general approach based on intrinsic properties of the arenes
  655. A dodecanuclear copper(ii) cage self-assembled from six dicopper building units
  656. Relevant and unprecedented C–H/σ supramolecular interactions involving σ-aromatic M2X2cores
  657. 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
  658. Triple-bridged ferromagnetic nickel(ii) complexes: A combined experimental and theoretical DFT study on stabilization and magnetic coupling
  659. The influence of H-bonding on the ‘ambidentate’ coordination behaviour of the thiocyanate ion to Cd(ii): a combined experimental and theoretical study
  660. 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
  661. 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
  662. Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions
  663. 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
  664. Influence of ring size on the strength of carbon bonding complexes between anions and perfluorocycloalkanes
  665. Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions
  666. A combined experimental and computational study of supramolecular assemblies in ternary copper(ii) complexes with a tetradentate N4donor Schiff base and halides
  667. 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
  668. Cover Picture: On the Importance of Anion–π Interactions in the Mechanism of Sulfide:Quinone Oxidoreductase (Chem. Asian J. 11/2013)
  669. On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors
  670. Tetrel-Bonding Interaction: Rediscovered Supramolecular Force?
  671. Tetrel-Bonding Interaction: Rediscovered Supramolecular Force?
  672. 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
  673. Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion–π interactions
  674. On the Importance of Anion–π Interactions in the Mechanism of Sulfide:Quinone Oxidoreductase
  675. M II –Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Experimental Observation, Hirshfeld Surface Analysis and Theoretical Study
  676. On the Importance of Unprecedented Lone Pair–Salt Bridge Interactions in Cu(II)–Malonate–2-Amino-5-Chloropyridine–Perchlorate Ternary System
  677. 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
  678. Encapsulation of anions: Macrocyclic receptors based on metal coordination and anion–π interactions
  679. Dinuclear and heptanuclear nickel(II) complexes: Anion coordination induced ligand arm hydrolysis and aggregation around a nickel(II) core
  680. Quadrupole moment versus Molecular Electrostatic Potential: Strange behavior of ethynyl-substituted benzenes
  681. Is the Use of Diffuse Functions Essential for the Properly Description of Noncovalent Interactions Involving Anions?
  682. Polymorphism in hetero-metallic tri-nuclear CuII2CdII complexes of salicylaldimine ligand: Structural analysis and theoretical study
  683. 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)
  684. Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(i) salts and flexible bis- and tris-pyrimidine ligands
  685. Experimental and theoretical studies on the coordination chemistry of the N1-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine)
  686. Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH⋯F bonds
  687. Anion–π interactions in [S4N3]+ rings
  688. Reversible switching of the electronic ground state in a pentacoordinated Cu(ii) complex
  689. Synthesis, crystal structure, magnetic property and DFT calculations of an unusual dinuclear μ2-alkoxido bridged iron(iii) complex
  690. Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers
  691. Halogen bonding versuschalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study
  692. 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
  693. Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies
  694. 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 ...
  695. Anion-π Interactions Involving [MXn]m−Anions: A Comprehensive Theoretical Study
  696. Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones
  697. Interplay between ion–π and Ar/π Van der Waals interactions
  698. Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study
  699. Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion−π–Anion and Nonclassical C–H···Anion Interactions
  700. Complexes of Zinc(II) with N ‐Imidazolyl‐ and N ‐Pyrazolylpyrimidine Donor Ligands: Synthesis, Crystal Structures, and Theoretical Study
  701. A new benzimidazolium incorporated chemodosimeter affording dual chromogenic and fluorescence switch-on signaling for the selective targeting of cyanide
  702. Estimating ring strain energies in small carbocycles by means of the Bader’s theory of ‘atoms-in-molecules’
  703. Tuning of the anion–π interaction
  704. Theoretical ab initio study of anion–π interactions in inorganic rings
  705. Synthesis, X-ray characterization and computational Studies of N-imidazolyl and N-pyrazolyl pyrimidine derivatives
  706. 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
  707. ChemInform Abstract: Putting Anion-π Interactions into Perspective
  708. 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
  709. Pnicogen–π complexes: theoretical study and biological implications
  710. 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
  711. Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine
  712. Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions
  713. Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation
  714. Anion–π Interactions in Molecular Recognition
  715. Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π–π interactions
  716. ChemInform Abstract: Cation-π and Anion-π Interactions
  717. Putting Anion-π Interactions Into Perspective
  718. Theoretical Study on Cooperativity Effects between Anion-π and Halogen-Bonding Interactions
  719. RI-MP2 and MPWB1K Study of π–Anion−π′ Complexes: MPWB1K Performance and Some Additivity Aspects
  720. Anionπ Interactions in Flavoproteins
  721. Unexpected Nonadditivity Effects in Anion−π Complexes
  722. 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)]
  723. A methodological analysis for the assessment of non-covalent π interactions
  724. 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
  725. Cation-π and anion-π interactions
  726. Can lone pair-π and cation-π interactions coexist? A theoretical study
  727. RNAs' uracil quartet model with a non-essential metal ion
  728. Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework
  729. Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study
  730. Radical cation (C˙+–π) and radical anion (A˙−–π) interactions with aromatic rings: energetic, orbitalic and spin density considerations
  731. On the directionality of anion–π interactions
  732. Kinetics and mechanism of the oxidation of hydroxylamine by a {Mn3O4}4+ core in aqueous acidic media
  733. A Highly Selective Fluorescence Turn-on Probe for Zn2+ Based on New Diaryloxadiazole Chelate
  734. Design of a dual sensing highly selective cyanide chemodosimeter based on pyridinium ring chemistry
  735. Supramolecular assemblies involving anion–π and lone pair–π interactions: experimental observation and theoretical analysis
  736. Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) complexes of salicylaldimine type ligands: Structural characterization and theoretical investigation
  737. The Role of the Ethynyl Substituent on the π-π Stacking Affinity of Benzene: A Theoretical Study
  738. Relevant Anion-π Interactions in Biological Systems: The Case of Urate Oxidase
  739. Relevant Anion-π Interactions in Biological Systems: The Case of Urate Oxidase
  740. 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)
  741. New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N 6 ‐Substituted Adenines – Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers
  742. 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
  743. A Combined Experimental and Theoretical Study of Anion-π Interactions in N6- and N9-Decyladenine Salts (Eur. J. Org. Chem. 27/2010)
  744. A Combined Experimental and Theoretical Study of Anion-π Interactions in N6- and N9-Decyladenine Salts
  745. New 1,8-naphthyridine-based probes for the selective fluorescence signalling of toxic cadmium: synthesis, photophysical studies and molecular modelling
  746. 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
  747. Supramolecular Assembly of Mg(II) Complexes Directed by Associative Lone Pair−π/π−π/π−Anion−π/π−Lone Pair Interactions
  748. Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions
  749. Cooperativity effects between non-covalent interactions: Are they important for Z-DNA stability?
  750. A novel fluoride selective optical chemosensor based on internal charge transfer signaling
  751. Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine–fluorine noncovalent interactions
  752. Lone pair–π vs π–π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study
  753. Substituent Effects in Ion−π Interactions: Fine-Tuning via the Ethynyl Group
  754. Cooperativity in multiple unusual weak bonds
  755. Very Long-Range Effects: Cooperativity between Anion-π and Hydrogen-Bonding Interactions
  756. Interplay between cation–π and hydrogen bonding interactions: Are non-additivity effects additive?
  757. Counterintuitive Substituent Effect of the Ethynyl Group in Ion−π Interactions
  758. Thermodynamic Characterization of the Self-Assembly Process of a Three Component Heterobimetallic Bisporphyrin Macrocycle
  759. 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
  760. Anion−π Interactions in Four-Membered Rings
  761. Simultaneous Interaction of Tetrafluoroethene with Anions and Hydrogen-Bond Donors: A Cooperativity Study
  762. Energetic vs Synergetic Stability: A Theoretical Study
  763. 2-Aminopyrimidine Derivatives Exhibiting Anion-π Interactions: A Combined Crystallographic and Theoretical Study
  764. Theoretical ab initio study of the interplay between hydrogen bonding, cation–π and π–π interactions
  765. Interplay between anion-π and hydrogen bonding interactions
  766. Theoretical and crystallographic study of edge-to-face aromatic interactions between pyridine moieties and benzene
  767. 1,2,4,5-Tetrazine: an unprecedented μ4-coordination that enhances ability for anion⋯π interactions
  768. Theoretical and Crystallographic Study of the Dual σ/π Anion Binding Affinity of Quinolizinylium Cation
  769. Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators
  770. Molecular Interaction Potential with Polarization (MIPp) Study of the Interplay Between Ion-π and Hydrogen Bonding Interactions
  771. Interplay between Edge-to-Face Aromatic and Hydrogen-Bonding Interactions
  772. Coordination Complexes Exhibiting Anion···π Interactions: Synthesis, Structure, and Theoretical Studies
  773. Interplay between cation-π and hydrogen bonding interactions
  774. Crystallographic and Theoretical Evidence of Anion–π and Hydrogen-Bonding Interactions in a Squaramide–Nitrate Salt
  775. On the importance of the inclusion of the basis set superposition error counterpoise correction during optimization of ion-π complexes
  776. High-Level Ab Initio Study of Anion–π Interactions in Pyridine and Pyrazine Rings Coordinated to AgI
  777. MP2 Study of synergistic effects between X–H/π (X = C,N,O) and π–π interactions
  778. MP2 Study of the Dual σ/π−Anion-Binding Affinity of Fluorinated Phthallic Acid Anhydrides
  779. A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyr­imidine) Salts (Eur. J. Org. Chem. 35/2007)
  780. A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyr­imidine) Salts
  781. Anion−π Interactions in Bisadenine Derivatives:  A Combined Crystallographic and Theoretical Study
  782. Induced-Polarization Energy Map:  A Helpful Tool for Predicting Geometric Features of Anion-π Complexes
  783. A Theoretical Study of Anion–π Interactions in Seven-Membered Rings
  784. MP2 study of anion–π complexes of trifluoro-s-triazine with tetrahedral and octahedral anions
  785. Dual Cation and Anion Acceptor Molecules. The Case of the (η6-C6H6)(η6C6F6)Cr(0) Complex
  786. MP2 study of cooperative effects between cation–π, anion–π and π–π interactions
  787. Interplay Between Cation-π, Anion-π and π-π Interactions
  788. Rational Design, Synthesis, and Application of a New Receptor for the Molecular Recognition of Tricarboxylate Salts in Aqueous Media
  789. MP2 Study of Cation−(π)n−π Interactions (n = 1−4)
  790. Affinity of ferrocene and (1,1′)(3,3′)[3,3]ferrocenophane to cations
  791. Synthesis, X-ray structure analysis and computational studies of novel bis(thiocarbamoyl) disulfides with non-covalent S⋯N and S⋯S interactions
  792. DABCO-Induced Self-Assembly of a Trisporphyrin Double-Decker Cage:  Thermodynamic Characterization and Guest Recognition
  793. Ab Initio Study of [n.n]Paracyclophane (n = 2, 3) Complexes with Cations:  Unprecedented Through-Space Substituent Effects
  794. A theoretical ab initio study of [n.n]paracyclophane complexes with cations
  795. Anion-π Interactions in Cyanuric Acids: A Combined Crystallographic and Computational Study
  796. Approximate Additivity of Anion−π Interactions:  An Ab Initio Study on Anion−π, Anion−π2and Anion−π3Complexes
  797. Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes
  798. Self-Assembly, Binding, and Dynamic Properties of Heterodimeric Porphyrin Macrocycles
  799. Counterintuitive affinity of [2.2]paracyclophane to cations
  800. o-Tolidine: A new reagent for a simple nephelometric determination of anionic surfactants
  801. Structure and Binding Energy of Anion−π and Cation−π Complexes:  A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods
  802. Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Attached to a Squaramide
  803. DABCO-Directed Self-Assembly of Bisporphyrins (DABCO=1,4-Diazabicyclo[2.2.2]octane)
  804. A Theoretical ab initio Study of the Capacity of Several Binding Units for the Molecular Recognition of Anions
  805. 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
  806. Cation-π vs anion-π interactions: a complete π-orbital analysis
  807. Cation−π versus Anion−π Interactions:  Energetic, Charge Transfer, and Aromatic Aspects
  808. Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study
  809. Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features
  810. Self-assembly of [2]Rotaxane Exploiting Reversible Pt(II)- Pyridine Coordinate Bonds
  811. Conformational Preferences and Self-Template Macrocyclization of Squaramide-Based Foldable Modules
  812. Ab initio investigations of lithium diffusion in single-walled carbon nanotubes
  813. Anion–π Interactions: Do They Exist?
  814. Anion–π Interactions: Do They Exist?
  815. A Topological Analysis of the Electron Density in Anion-π Interactions
  816. Anion-π interactions in five-membered rings: a combined crystallographic and ab initio study
  817. Lithium diffusion in single-walled carbon nanotubes: a theoretical study
  818. Dual Binding Mode of s-Triazine to Anions and Cations
  819. Intramolecular noncovalent force in cyclic amidines: nonbonded interaction between carbon atoms and heteroatoms
  820. Weak C−H/π Interaction Participates in the Diastereoselectivity of a Host−Guest Complex in the Presence of Six Strong Hydrogen Bonds
  821. s-Tetrazine as a new binding unit in molecular recognition of anions
  822. Anion–π interactions: must the aromatic ring be electron deficient?
  823. Internal rotation in squaramide and related compounds. A theoretical ab initio study
  824. Anion–π Interactions: Do They Exist?
  825. Predicting experimental complexation-induced changes in NMR chemical shift for complexes between metalloporphyrins and ligands using the Ab initio/GIAO-HF methodology
  826. Counterintuitive interaction of anions with benzene derivatives
  827. Quantification of Aromaticity in Oxocarbons: The Problem of the Fictitious “Nonaromatic” Reference System
  828. Quantification of Aromaticity in Oxocarbons: The Problem of the Fictitious “Nonaromatic” Reference System
  829. Predicting Experimental Complexation-Induced Changes in 1H NMR Chemical Shift for Complexes between Zinc-Porphyrins and Amines Using the ab Initio/GIAO-HF Methodology
  830. A theoretical study of aromaticity in squaramide complexes with anions
  831. OPLS all-atom force field for squaramides and squaric acid
  832. A topological analysis of charge density in complexes between derivatives of squaric acid and ammonium cation
  833. The resonance model in amides: a combined crystallographic and ab initio investigation
  834. Ab initio calculations on zinc porphyrins complexed to amines: geometrical details and NMR chemical shifts
  835. Squaramide as a binding unit in molecular recognition
  836. Squaramido-based receptors: applicability of molecular interaction potential to molecular recognition of polyalkylammonium compounds
  837. A theoretical study of aromaticity in squaramide and oxocarbons
  838. OPLS all-atom force field for carbohydrates
  839. OPLS all‐atom force field for carbohydrates
  840. Molecular Recognition of Carbohydrates: Interaction of Diols with Acetate Ion
  841. On the Mechanism of Lithiation of Hydric Aromatics:  Direct NMR Evidence for Short H−Li Contacts in Mixed Aggregates1
  842. Predicting Directed Lithiations by Means of MNDO-Determined Agostic Interaction Parameters and Proximity Features. Peri Lithiation of Polyhydric Phenolic Compounds
  843. Solid-State Redox Chemistry: Preparation of 1,4-Naphthoquinone, Hydroquinone, and the Corresponding Mixed Quinhydrone in the Solid State
  844. Double group-transfer reactions: a theoretical (AM1) approach
  845. Origin of the regioselective lithiation of 1,3-disubstituted heteroatom aromatics. MNDO evidence for bidentate complexation
  846. The generation of C,O,O-trilithiated derivatives of dihydric phenols