All Stories

  1. Pressure stabilization effect on the donor–acceptor polyiodide chains in tetraethylammonium bis(diiodine) triiodide – insights from Raman spectroscopy
  2. Experimental and Computational Study on the Effects of High Pressure on the Crystal Structure of Boron Nitrilotriacetate
  3. High pressure behaviour of the organic semiconductor salt (TTF-BTD)2I3
  4. Pitfalls in the location of guest molecules in metal-organic frameworks
  5. From Small Metal Clusters to Molecular Nanoarchitectures with a Core–Shell Structure: The Synthesis, Redox Fingerprint, Theoretical Analysis, and Solid-State Structure of [Co38As12(CO)50]4–
  6. The Dielectric Behavior of Protected HKUST-1
  7. Ultrafast Vibrational Response of Activated C–D Bonds in a Chloroform–Platinum(II) Complex
  8. Chemoenzymatic Synthesis of the Most Pleasant Stereoisomer of Jessemal
  9. Beyond the Semi-classical View of Atoms and Molecules in Crystals
  10. Calculating the Crystal Wavefunction from Crystallographic Experiments
  11. Concluding Remarks
  12. How Does Quantum Mechanics Jump in the Field of Crystallography?
  13. Introduction
  14. Quantum Crystallography in the Everyday Life of a Crystallographer and a Quantum Chemist
  15. Quantum Crystallography: Expectations vs Reality
  16. Quantum Crystallography and the Standard Model
  17. Testing Chemical Bond Theories with Quantum Crystallography
  18. Hydrophobicity and dielectric properties across an isostructural family of MOFs: a duet or a duel?
  19. Quo vadis, quantum crystallography?
  20. Pressure-Aided Stabilization of Pyramidal Polyiodides
  21. X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations
  22. On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. II. Evaluation of the properties in an infinite crystal
  23. Structure of the superconducting high-pressure phase of Sc3CoC4
  24. Magnetic ground state of the one-dimensional ferromagnetic chain compounds M(NCS)2(thiourea)2 ( M=Ni,Co )
  25. Extending Libraries of Extremely Localized Molecular Orbitals to Metal Organic Frameworks: A Preliminary Investigation
  26. Pressure-induced Jahn–Teller switch in the homoleptic hybrid perovskite [(CH3)2NH2]Cu(HCOO)3: orbital reordering by unconventional degrees of freedom
  27. Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers
  28. Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides
  29. The connubium between crystallography and quantum mechanics
  30. Magnetic Network on Demand: Pressure Tunes Square Lattice Coordination Polymers Based on {[Cu(pyrazine)2]2+}n
  31. Electrons in Solids: Mesoscopics, Photonics, Quantum Computing, Correlations, Topology (Graduate Texts in Condensed Matter). By Hendrik Bluhm, Thomas Brückel, Markus Morgenstern, Gero Plessen and Christoph Stampfer. De Gruyter, 2019. Paperback, ...
  32. Structural Variety of Alkali Hydrogen Maleates at High Pressure
  33. Quantum Crystallography in the Last Decade: Developments and Outlooks
  34. Analysis of crystal field effects and interactions using X-ray restrained ELMOs
  35. Synthesis of the Elusive bis (4‐carboxyphenylimino)acenaphthene Ligand and of its Palladium Dichloride Complex
  36. Different Metallophilic Attitudes Revealed by Compression
  37. Formate-mediated magnetic superexchange in the model hybrid perovskite [(CH3)2NH2]Cu(HCOO)3
  38. On generalized partition methods for interaction energies
  39. Topological and electrostatic properties of diclofenac molecule as a non-steroidal anti-inflammatory drug: An experimental and theoretical study
  40. Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu3(BTC)2 and Zn3(BTC)2
  41. Pressure-Induced Polymerization and Electrical Conductivity of a Polyiodide
  42. Pressure‐Induced Polymerization and Electrical Conductivity of a Polyiodide
  43. Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO3)2(pyz)3
  44. Polarization, Inner and Outer Field, and Surface Charge Compensation of a Molecular Crystal
  45. A chiral ligand accessible in one step: Synthesis of bis-((R)-(+)-bornyl)acenaphthenequinonediimine and of its zinc and nickel complexes
  46. NO2···NO2 Contacts under Compression: Testing the Forces in Soft Donor–Acceptor Interactions
  47. Giant Pressure Dependence and Dimensionality Switching in a Metal-Organic Quantum Antiferromagnet
  48. Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder
  49. Structural and spectroscopic differences between enantiomers?
  50. Quantum Crystallography: Current Developments and Future Perspectives
  51. Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co6X(CO)16]− Species
  52. Quasi-2D Heisenberg Antiferromagnets [CuX(pyz)2](BF4) with X = Cl and Br
  53. Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2
  54. CHAPTER 7. Towards a Generalized Database of Atomic Polarizabilities
  55. Experimental and theoretical electron density of intermediates in palladium-phenanthroline catalyzed carbonylation of amines and reductive carbonylation of nitroarenes
  56. Periodical trends in [Co 6 E(CO) 16 ]- clusters: Structural, synthetic and energy changes produced by substitution of P with As
  57. J(Si,H) Coupling Constants of Activated Si–H Bonds
  58. Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
  59. The future of topological analysis in experimental charge-density research
  60. Reaction of arylhydroxylamines with [Pd(Neoc)(NO 3 ) 2 ] (Neoc = neocuproine). Non-innocent behavior of the nitrate anion
  61. Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S=1 quantum antiferromagnet
  62. Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?
  63. Synthesis and catalytic activity of μ-oxo ruthenium(IV) porphyrin species to promote amination reactions
  64. The Role of Hydrogen Bond in Designing Molecular Optical Materials
  65. Putting pressure on aromaticity along with in situ experimental electron density of a molecular crystal
  66. Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets
  67. Optical properties of metal–organic networks from distributed atomic polarizabilities
  68. The benefits of one-dimensional detectors for high-pressure powder X-ray diffraction
  69. Solid-State Reversible Nucleophilic Addition in a Highly Flexible MOF
  70. Organometallic Reactivity of [Silver(I)­(Pyridine-Containing Ligand)] Complexes Relevant to Catalysis
  71. Kinetic Control of High-Pressure Solid-State Phase Transitions: A Case Study onl-Serine
  72. Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges
  73. Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates
  74. An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M 2 (CO) 8 ] n Systems
  75. Exploring the Electronic Structure of an Organic Semiconductor Based on a Compactly Fused Electron Donor-Acceptor Molecule
  76. Scientists discuss about the application of topological methods to chemistry
  77. Calculation of bond polarizabilities in organometallic molecules
  78. Anagostic Interactions under Pressure: Attractive or Repulsive?
  79. Anagostic Interactions under Pressure: Attractive or Repulsive?
  80. An overview of the application of charge density to the growing field of crystal engineering
  81. A comprehensive comparison between x-ray constrained wave function and multipolar model
  82. Easy Entry into Reduced Ar‐BIANH2 Compounds: A New Class of Quinone/Hydroquinone‐Type Redox‐Active Couples with an Easily Tunable Potential
  83. ChemInform Abstract: Modern Charge Density Studies: The Entanglement of Experiment and Theory
  84. distributed atomic polarizabilities
  85. Synthesis of Biologically Relevant Compounds by Ruthenium Porphyrin Catalyzed Amination of Benzylic C–H Bonds
  86. a perspective article on the application of crystallohraphic methods to crystal engineering
  87. The stereochemistry of Mn2CO10 under pressure
  88. New phases found in a system characterized by pressure induced orbital ordering
  89. Photoluminescence of the first examples of metal–organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study
  90. Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate
  91. An updated and comprehensive review of the modern charge density analysis
  92. Electron density building block approach for metal organic frameworks
  93. The structure of some [4.5.5.5]fenestranes
  94. Cooperative Effects of Electron Donors and Acceptors for the Stabilization of Elusive Metal Cluster Frameworks: Synthesis and Solid-State Structures of [Pt19(CO)24(μ4-AuPPh3)3]− and [Pt<...
  95. Asymmetric cyclopropanation of olefins catalysed by Cu(i) complexes of chiral pyridine-containing macrocyclic ligands (Pc-L*)
  96. Stereoselectivity of Additions to N-Methyl Acetonitrilium Fluorosulfonate
  97. Synthesis, Reactivity, Electrochemical Behavior, and Crystal Structure of a Family of Multivalent Metal Carbido–Carbonyl Clusters Based on the Rh10(C)2Au4–6 Framework
  98. Unexpected isomerism in “[Pd(2,9-dimethylphenanthroline)X2]” (X = Cl, Br, I) complexes: a neutral and an ionic form exist
  99. The most up to date guide to the charge density analysis
  100. On the nature of chemical bonding in γ-boron
  101. Insights into the Mechanism of the Ruthenium-Porphyrin-Catalysed Allylic Amination of Olefins by Aryl Azides
  102. Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
  103. Thermal, Spectroscopic, and Ab Initio Structural Characterization of Carprofen Polymorphs
  104. Mapping Palladium Reduction by Carbon Monoxide in a Catalytically Relevant System. A Novel Palladium(I) Dimer
  105. Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)
  106. Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls
  107. A Guided Tour Through Modern Charge Density Analysis
  108. Cryo-Crystallography: Diffraction at Low Temperature and More
  109. High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone
  110. Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered Mixed Metal Oxalate Chains
  111. Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective
  112. ChemInform Abstract: Electron Density Distribution in Organometallic Materials
  113. Four tetrairidiumcarbonylclusters linked by six diphosphino ligands: synthesis and X-ray structure of [{Ir4(CO)9}4(dppmb)6] (dppmb = 1,4-bis(diphenylphosphinomethyl)benzene
  114. Chiral cyclopropylamines in the synthesis of new ligands; first asymmetric Alkyl-BIAN compounds
  115. Bond Orders in Metal–Metal Interactions Through Electron Density Analysis
  116. Bond Orders in Metal–Metal Interactions Through Electron Density Analysis
  117. The α and β forms of oxalic acid di-hydrate at high pressure: a theoretical simulation and a neutron diffraction study
  118. Ab Initio Quantum Chemistry and Semi-Empirical Description of Solid State Phases Under High Pressure: Chemical Applications
  119. Stabilization through p-dimethylaminobenzaldehyde of a new NLO-active phase of [E-4-(4-dimethylaminostyryl)-1-methylpyridinium] iodide: synthesis, structural characterization and theoretical investigation of its electronic properties
  120. Is the source function really able to address electron delocalization?
  121. Mechanistic Study of the Palladium-Phenanthroline Catalyzed Carbonylation of Nitroarenes and Amines: Palladium-Carbonyl Intermediates and Bifunctional Effects
  122. Resonanzstrukturen und Elektronendichteanalyse
  123. The resonance mechanism in chemistry from the electron deocalization index
  124. Molecular Crystals Under High Pressure: Theoretical and Experimental Investigations of the Solid–Solid Phase Transitions in [Co2(CO)6(XPh3)2] (X=P, As)
  125. Synthesis, Spectroscopic, and X-ray Characterization of Rhenium Carbonyl Complexes with Different Silsesquioxanes, as Models That Mimic the Chemical Behavior and the Topology of the Silica Surface
  126. Electron Density Distribution in Organometallic Materials
  127. The key intermediate in the amination of saturated C–H bonds: synthesis, X-ray characterization and catalytic activity of Ru(TPP)(NAr)2 (Ar = 3,5-(CF3)2C6H3)
  128. Hydrogen migration in oxalic acid di-hydrate at high pressure?
  129. Tuning the magnetic properties of a new family of hybrid mixed metal oxalates having 1D magnetic chains and layers of J aggregates of [DAMS+] producing superior SHG
  130. Synthesis and Solid-State Behavior of Host–Guest Carbonyl Rh(I) Polymers Assembled through Bidentate Phosphine Ligands
  131. Designing new ligands: asymmetric cyclopropanation by Cu(i) complexes based on functionalised pyridine-containing macrocyclic ligands
  132. Synthesis, crystal structure and crystal packing of diaza[5]helicenes
  133. Theoretical Investigations of the Effects of J-Aggregation on the Linear and Nonlinear Optical Properties ofE-4-(4-Dimethylaminostyryl)-1-methylpyridinium [DAMS+]
  134. Polyfunctional Inorganic−Organic Hybrid Materials:  An Unusual Kind of NLO Active Layered Mixed Metal Oxalates with Tunable Magnetic Properties and Very Large Second Harmonic Generation
  135. Insertion of ethyl diazoacetate into the platinum–carbon bond of Pt(diphosphine)(halide)(aryl) complexes. X-ray structure of the Pt{(2S,4S)-bdpp)}I(Ph) complex
  136. Improving the quality of diamond anvil cell data collected on an area detector by shading individual diamond overlaps
  137. Poly(vinylidene fluoride) membranes by phase inversion: the role the casting and coagulation conditions play in their morphology, crystalline structure and properties
  138. Synthesis and structural characterization of functionalized cyclotetrasiloxane rings [4-RC6H4Si(O)OR′]4 (R=Cl, Br, CHCH2, CH2Cl; R′=Na, SiMe3) as scaffolds for the synthesis of models of a silica bound monolayer of fluorescent or second order NLO activ...
  139. The electron density bonding features in transition metal complexes
  140. Mixed Co−Rh Nitrido-Encapsulated Carbonyl Clusters. Synthesis, Solid-State Structure, and Electrochemical/EPR Characterization of the Anions [Co10Rh(N)2(CO)21]3-, [Co10Rh2(N)2...
  141. A Re(CO)5Fragment Bonded to a Polyhedral Oligomeric Hydroxysilsesquioxane as a Model which Gives Further Evidence to the Existence of an Unexpected Re(CO)5Surface Species
  142. The effect on E-stilbazoles second order NLO response by axial interaction with M(II) 5,10,15,20-tetraphenyl porphyrinates (M=Zn, Ru, Os); a new crystalline packing with very large holes
  143. Synthesis of platinum-iodo-alkyl/aryl complexes in ligand-exchange reactions: Determination of the structure of Pt{(S,S)-bdpp}(X)I complexes (X=Me, I) by X-ray crystallography
  144. Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)
  145. Staggered to Eclipsed Conformational Rearrangement of [Co2(CO)6(PPh3)2] in the Solid State: An X‐ray Diffraction Study at High Pressure and Low Temperature
  146. Staggered to Eclipsed Conformational Rearrangement of [Co2(CO)6(PPh3)2] in the Solid State: An X‐ray Diffraction Study at High Pressure and Low Temperature
  147. The Electron Density of Bridging Hydrides Observed via Experimental and Theoretical Investigations on [Cr2(μ2-H)(Co)10]-
  148. Origin of the Deactivation in Styrene Aziridination by Aryl Azides, Catalyzed by Ruthenium Porphyrin Complexes. Structural Characterization of a Δ2-1,2,3-Triazoline RuII(TPP)CO Complex
  149. Surface organometallic chemistry — Carbonyl complexes of Re(I) with silanolates as models of silica anchored rhenium carbonyl species
  150. Cover Picture: Synthesis and Characterization of Some Aza[5]helicenes (Eur. J. Org. Chem. 7/2005)
  151. Synthesis and Characterization of Some Aza[5]helicenes
  152. Using ring strain to inhibit a decomposition path: first synthesis of an Alkyl-BIAN ligand (Alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)
  153. Variable-temperature X-ray crystallographic studies: a complementary tool for charge-density investigation of soft (organometallic) bonds
  154. Electron Transfer and CO Addition to Polynitrido Cobalt Carbonyl Clusters:  Parallel Pathways for Conversion of the [Co10N2(CO)19]4-Anion to the Novel [Co11N2(CO)21]3-
  155. Synthesis of mixed Ar,Ar′-BIAN ligands (Ar,Ar′-BIAN = bis(aryl)acenaphthenequinonediimine). Measurement of the coordination strength of hemilabile ligands with respect to their symmetric counterparts
  156. Synthesis, structural and electrochemical characterization of the nitrido-carbonyl cluster anion [Co13N2(CO)24]3−. The different redox propensity of the two isostructural families [Co13N2(CO)24]n− and [Co13C2(CO)24]m−
  157. Chemical bonding in transition metal carbonyl clusters: complementary analysis of theoretical and experimental electron densities.
  158. Reversible displacive phase transition in [Ni(en)3]2+(NO3−)2: a potential temperature calibrant for area-detector diffractometers
  159. Electron Density of Semi-Bridging Carbonyls. Metamorphosis of CO Ligands Observed via Experimental and Theoretical Investigations on [FeCo(CO)8]-
  160. The acentric nature of trans-stilbazole crystals and the origin of its NLO response
  161. Synthesis and Structural Characterization of the {[Rh5(CO)14]−(H2N(CH2)4NH2)−[Rh5(CO)14])}2-and [Rh5(CO)13(H2...
  162. Relativistic analytical wave functions and scattering factors for neutral atoms beyond Kr and for all chemically important ions up to I−
  163. Experimental and Theoretical Electron Density Study of the Peroxo Function in Oxoperoxo(pyridine-2,6-dicarboxylato)(hexamethylphosphoramide)molybdenum(VI):  Implications for Olefin Epoxidation by Peroxo Transition Metal Complexes
  164. Interanionic O−H⋅⋅⋅O Interactions: The Charge Density Point of View
  165. Interanionic O−H⋅⋅⋅O Interactions: The Charge Density Point of View
  166. [Pt19(CO)21(NO)]3 and [Pt38(CO)44]2: Nitrosyl Bending through Intramolecular Electron Transfer as an Intermediate Step in the Nucleation Process from Polydecker to ccp Platinum Carbonyl Clusters
  167. [Pt19(CO)21(NO)]3− und [Pt38(CO)44]2−: Biegung einer Nitrosylgruppe durch intramolekulare Elektronenübertragung als Zwischenschritt bei der Bildung eines kubisch dichtest gepackten Platincarbonylclusters aus einem Polydecker
  168. [Pt19(CO)21(NO)]3− and [Pt38(CO)44]2−: Nitrosyl Bending through Intramolecular Electron Transfer as an Intermediate Step in the Nucleation Process from Polydecker toccp Platinum Carbonyl Clusters
  169. Charge Density in Transition Metal Clusters:  Supported vs Unsupported Metal−Metal Interactions
  170. Synthesis and chemical behavior of [MFe4(CO)16]n− (M=Au, Zn, Cd, Hg) clusters: X ray structure of [NMe3CH2Ph]2[Au{Fe2(CO)8}2]Cl and [PPh4]2[Cd{Fe2(CO)6(μ-CO)2}2]2CH3CN
  171. Neue Ni-Pt-Carbonylcluster, bei denen ein Pt-Tetraeder in einem unvollständigen Ni-Tetraeder eingeschlosen ist: [Ni36Pt4(CO)45]6− und [Ni37Pt4(CO)46]6−
  172. New Ni-Pt Carbonyl Clusters with a Tetrahedron of Platinum Atoms Encapsulated in an Incomplete Tetrahedron of Nickel Atoms: [Ni36Pt4(CO)45]6− and [Ni37Pt4(CO)46]6−
  173. Complex Interwoven Polymeric Frames from the Self-Assembly of Silver(I) Cations and Sebaconitrile
  174. Complex Interwoven Polymeric Frames from the Self-Assembly of Silver(I) Cations and Sebaconitrile
  175. Experimental Electron Density in a Transition Metal Dimer:  Metal−Metal and Metal−Ligand Bonds
  176. Characterization of the Solid−Solid Phase Transition of Co2(CO)6(AsPh3)2
  177. Synthesis and Structural Characterization of the Nitrido−Carbonyl Cluster Anion [Co10N2(CO)9(μ-CO)10]4- Having an Unprecedented Metal Cage Built of Three Condensed Trigonal Prisms
  178. Quantum Theory of Atoms in Molecules explains metal-olefin complexes
  179. Site Preference of Ligand and Metal Substitution in Trigonal-Bipyramidal Metal Carbonyl Clusters