All Stories

  1. The Nature of Nonclassical Chalcogeno-Carbonyl Ligands
  2. Radical Stability Paradox: Substituent Effects versus Heats of Formation
  3. Hydrogen Bond Benchmark: Focal‐Point Analysis and Assessment of DFT Functionals
  4. Substituent Effects on Sulfur Phenolate Exchange Reactions: Reactivity and Bonding Analysis
  5. Understanding the SN2 Versus E2 Competition
  6. Organodichalcogenide Structure and Stability: Hierarchical Ab Initio Benchmark and DFT Performance Study
  7. Dynamic Combinatorial Chemistry of Ditellurides
  8. Bismuth Meets Olefins: Ethylene Activation and Reversible Alkene Insertion into Bi─N Bonds
  9. The Amsterdam Modeling Suite
  10. Organocatalyzed Diels‐Alder Reactions: Unexplored Hydrogen Bond Donor Catalysts
  11. How firm a chemical bond is depends on how you break it!
  12. Urea hydrogen-bond donor strengths: bigger is not always better
  13. Unorthodox Catalysts for Diels-Alder Reactions
  14. Iron-Catalyzed Activation of Carbon–Halogen Bonds
  15. “Hydridic Hydrogen-Bond Donors” Are Not Hydrogen-Bond Donors
  16. Cobalt‐Catalyzed Enantio‐ and Regioselective C(sp3)−H Alkenylation of Thioamides
  17. Cobalt‐Catalyzed Enantio‐ and Regioselective C(sp3)−H Alkenylation of Thioamides
  18. Rivaroxaban vs Vitamin K Antagonist in Patients With Atrial Fibrillation and Advanced Chronic Kidney Disease
  19. More Electropositive is More Electronegative: Atom Size Determines C=X Group Electronegativity
  20. Front Cover: Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion (ChemPhysChem 1/2024)
  21. Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion
  22. Origin of the Felkin–Anh(–Eisenstein) model: a quantitative rationalization of a seminal concept
  23. What defines electrophilicity in carbonyl compounds
  24. Retro-Cope elimination of cyclic alkynes: reactivity trends and rational design of next-generation bioorthogonal reagents
  25. Solvent-induced dual nucleophiles and the α-effect in the SN2 versus E2 competition
  26. The nature of metallophilic interactions in closed-shell d8–d8 metal complexes
  27. Nature and strength of group-14 A–A′ bonds
  28. Stabilization of Diborynes versus Destabilization of Diborenes by Coordination of Lewis Bases: Unravelling the Dichotomy
  29. Understanding the Retro‐Cope Elimination Reaction of Linear Alkynes
  30. Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion
  31. Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis
  32. Cover Feature: Origin of the Bürgi‐Dunitz Angle (ChemPhysChem 17/2023)
  33. Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis
  34. SN2 versus E2 Competition of Cyclic Ethers
  35. Understanding chemistry with thesymmetry‐decomposed Voronoideformation density charge analysis
  36. On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds
  37. Origin of the Bürgi‐Dunitz Angle
  38. Cover Feature: Origin of the Captodative Effect: The Lone‐Pair Shielded Radical (ChemistryEurope 1/2023)
  39. Origin of the Captodative Effect: The Lone‐Pair Shielded Radical
  40. Probing Polar‐π Interactions Between Tetrazoles and Aromatic Rings**
  41. Palladium-catalyzed activation of HnA–AHnbonds (AHn= CH3, NH2, OH, F)
  42. Intermolecular Covalent Interactions: Nature and Directionality
  43. The Search for Enhanced σ‐Donor Ligands to Stabilize Boron‐Boron Multiple Bonds
  44. Insertion of CO2and CS2into Bi–N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer
  45. How Bases Catalyze Diels‐Alder Reactions
  46. C(spn)−X (n=1–3) Bond Activation by Iron
  47. On the existence of collective interactions
  48. The abnormally long and weak methylidyne C–H bond
  49. Author response for "The abnormally long and weak methylidyne C–H bond"
  50. Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules
  51. Author response for "The abnormally long and weak methylidyne C–H bond"
  52. Iodine Gauche Effect Induced by an Intramolecular Hydrogen Bond
  53. Methyl Substitution Destabilizes Alkyl Radicals
  54. Methyl Substitution Destabilizes Alkyl Radicals
  55. Palladium‐Catalyzed Activation of Carbon–Halogen Bonds: Electrostatics‐Controlled Reactivity
  56. SN2 versus SN2′ Competition
  57. Front Cover: How Ionization Catalyzes Diels‐Alder Reactions (Chem. Eur. J. 40/2022)
  58. How Ionization Catalyzes Diels–Alder Reactions
  59. C−X Bond Activation by Palladium: Steric Shielding versus Steric Attraction
  60. Through-Space Stabilization of an Imidazolium Cation by Aromatic Rings
  61. How Ionization Catalyzes Diels‐Alder Reactions
  62. Probing Noncovalent Interactions in [3,3]Metaparacyclophanes
  63. Corrigendum: Chemoselectivity of Tertiary Azides in Strain‐Promoted Alkyne–Azide Cycloadditions
  64. Reading and erasing of the phosphonium analogue of trimethyllysine by epigenetic proteins
  65. Polycyclic Aromatic Hydrocarbons (PAHs) in Interstellar Ices: A Computational Study into How the Ice Matrix Influences the Ionic State of PAH Photoproducts
  66. Rational design of iron catalysts for C–X bond activation
  67. B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order
  68. Front Cover: B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order (ChemistryOpen 2/2022)
  69. C(spn)−X (n=1–3) Bond Activation by Palladium
  70. B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order
  71. Probing the Lewis Acidity of Boronic Acids through Interactions with Arene Substituents
  72. Clarifying notes on the bonding analysis adopted by the energy decomposition analysis
  73. Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance
  74. Stability of alkyl carbocations
  75. How Solvation Influences the SN2 versus E2 Competition
  76. Cover Feature: The Chemical Bond: When Atom Size Instead of Electronegativity Difference Determines Trend in Bond Strength (Chem. Eur. J. 63/2021)
  77. The Chemical Bond: When Atom Size Instead of Electronegativity Difference Determines Trend in Bond Strength
  78. Radical Scavenging Potential of the Phenothiazine Scaffold: A Computational Analysis
  79. How Lewis Acids Catalyze Ene Reactions
  80. Switch From Pauli‐Lowering to LUMO‐Lowering Catalysis in Brønsted Acid‐Catalyzed Aza‐Diels‐Alder Reactions
  81. Origin of the α‐Effect in SN2 Reactions
  82. Origin of the α‐Effect in SN2 Reactions
  83. Inside Back Cover: Origin of the α‐Effect in SN2 Reactions (Angew. Chem. Int. Ed. 38/2021)
  84. Innenrücktitelbild: Origin of the α‐Effect in SN2 Reactions (Angew. Chem. 38/2021)
  85. Lewis Acid‐Catalyzed Diels‐Alder Reactions: Reactivity Trends across the Periodic Table
  86. 8 Energy decomposition analysis in the context of quantitative molecular orbital theory
  87. A Quantitative Molecular Orbital Perspective of the Chalcogen Bond
  88. Front Cover: A Quantitative Molecular Orbital Perspective of the Chalcogen Bond (4/2021)
  89. The Pauli Repulsion-Lowering Concept in Catalysis
  90. Cover Image
  91. Do Sulfonamides Interact with Aromatic Rings?
  92. Cover Feature: Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length (Chem. Eur. J. 24/2021)
  93. Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length
  94. The Gauche Effect in XCH2CH2X Revisited
  95. A Quantitative Molecular Orbital Perspective of the Chalcogen Bond
  96. Chalcogen bonds: Hierarchical ab initio benchmark and density functional theory performance study
  97. Bismuth Amides Mediate Facile and Highly Selective Pn–Pn Radical‐Coupling Reactions (Pn=N, P, As)
  98. Bismutamide als einfache Vermittler hochselektiver Pn−Pn‐Radikal‐Kupplungsreaktionen (Pn=N, P, As)
  99. How Metallylenes Activate Small Molecules
  100. Proton Transfer and SN2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx
  101. Front Cover: Proton Transfer and SN2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx (ChemPlusChem 4/2021)
  102. Cover Feature: How Oriented External Electric Fields Modulate Reactivity (Chem. Eur. J. 18/2021)
  103. How Oriented External Electric Fields Modulate Reactivity
  104. Cover Feature: Bifunctional Hydrogen Bond Donor‐Catalyzed Diels–Alder Reactions: Origin of Stereoselectivity and Rate Enhancement (Chem. Eur. J. 16/2021)
  105. Nature of Alkali‐ and Coinage‐Metal Bonds versus Hydrogen Bonds
  106. Bifunctional Hydrogen Bond Donor‐Catalyzed Diels–Alder Reactions: Origin of Stereoselectivity and Rate Enhancement
  107. On the Origin of Regioselectivity in Palladium‐Catalyzed Oxidation of Glucosides
  108. Dipolar repulsion in α-halocarbonyl compounds revisited
  109. How metallylenes activate small molecules
  110. The pnictogen bond: a quantitative molecular orbital picture
  111. Origin of asynchronicity in Diels–Alder reactions
  112. Chemical reactivity from an activation strain perspective
  113. The Hydrogenation Problem in Cobalt‐based Catalytic Hydroaminomethylation
  114. Proton Transfer and SN2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx
  115. The Nature of Nonclassical Carbonyl Ligands Explained by Kohn–Sham Molecular Orbital Theory
  116. A Unified Framework for Understanding Nucleophilicity and Protophilicity in the S N 2/E2 Competition
  117. A Unified Framework for Understanding Nucleophilicity and Protophilicity in the S N 2/E2 Competition
  118. SN2 versus E2 Competition of F–and PH2–Revisited
  119. Designing Rh(I)-Half-Sandwich Catalysts for Alkyne [2+2+2] Cycloadditions
  120. Probing Halogen−π versus CH−π Interactions in Molecular Balance
  121. Understanding the 1,3‐Dipolar Cycloadditions of Allenes
  122. N‐Heterocyclic Silylenes as Ligands in Transition Metal Carbonyl Chemistry: Nature of Their Bonding and Supposed Innocence
  123. A dual attack on the peroxide bond. The common principle of peroxidatic cysteine or selenocysteine residues
  124. Diastereoselective Synthesis of β-Lactams by Ligand-Controlled Stereodivergent Intramolecular Tsuji–Trost Allylation
  125. Regioselectivity of Epoxide Ring‐Openings via SN2 Reactions Under Basic and Acidic Conditions
  126. Front Cover: Through‐Space Polar‐π Interactions in 2,6‐Diarylthiophenols (ChemPhysChem 11/2020)
  127. Through‐Space Polar‐π Interactions in 2,6‐Diarylthiophenols
  128. Computationally Guided Molecular Design to Minimize the LE/CT Gap in D‐π‐A Fluorinated Triarylboranes for Efficient TADF via D and π‐Bridge Tuning
  129. Mechanism of biomolecular recognition of trimethyllysine by the fluorinated aromatic cage of KDM5A PHD3 finger
  130. Through‐Space Polar‐π Interactions in 2,6‐Diarylthiophenols
  131. Comparison of Molecular Recognition of Trimethyllysine and Trimethylthialysine by Epigenetic Reader Proteins
  132. How Alkali Cations Catalyze Aromatic Diels‐Alder Reactions
  133. Performance of TDDFT Vertical Excitation Energies of Core‐Substituted Naphthalene Diimides
  134. Ambident Nucleophilic Substitution: Understanding Non‐HSAB Behavior through Activation Strain and Conceptual DFT Analyses
  135. How Lewis Acids Catalyze Diels–Alder Reactions
  136. How Lewis Acids Catalyze Diels–Alder Reactions
  137. Ligand‐Mediated Regioselective Rhodium‐Catalyzed Benzotriazole–Allene Coupling: Mechanistic Exploration and Quantum Chemical Analysis
  138. Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design
  139. Distortion‐Controlled Redshift of Organic Dye Molecules
  140. Understanding chemical reactivity using the activation strain model
  141. Origin of rate enhancement and asynchronicity in iminium catalyzed Diels–Alder reactions
  142. Toward Transition‐Metal‐Templated Construction of Arylated B4 Chains by Dihydroborane Dehydrocoupling
  143. Activation Strain Analyses of Counterion and Solvent Effects on the Ion‐Pair SN2 Reaction of and CH3Cl
  144. Steric Effects Dictate the Formation of Terminal Arylborylene Complexes of Ruthenium from Dihydroboranes
  145. Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides across the Periodic Table
  146. Cover Feature: Dual Activation of Aromatic Diels–Alder Reactions (Chem. Eur. J. 42/2019)
  147. Dual Activation of Aromatic Diels–Alder Reactions
  148. Special Collection: Computational Chemistry
  149. Racemization and Deracemization through Intermolecular Redox Behaviour
  150. PyFrag 2019—Automating the exploration and analysis of reaction mechanisms
  151. How Dihalogens Catalyze Michael Addition Reactions
  152. Wie Dihalogene Michael‐Additionsreaktionen katalysieren
  153. Nucleophilic substitution at di- and triphosphates: leaving group ability of phosphate versus diphosphate
  154. para-Selective C–H Olefination of Aniline Derivatives via Pd/S,O-Ligand Catalysis
  155. Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies
  156. Cover Feature: Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies (Chem. Eur. J. 25/2019)
  157. Probing Through-Space Polar−π Interactions in 2,6-Diarylphenols
  158. Cover Feature: Half‐Sandwich Metal‐Catalyzed Alkyne [2+2+2] Cycloadditions and the Slippage Span Model (ChemistryOpen 2/2019)
  159. Diels-Alder reactivities of cycloalkenediones with tetrazine
  160. Cation affinities throughout the periodic table
  161. Hydride affinities of cationic maingroup-element hydrides across the periodic table
  162. Understanding the differences between iron and palladium in cross-coupling reactions
  163. Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl
  164. In My Element: Carbon
  165. Chemoselectivity of Tertiary Azides in Strain‐Promoted Alkyne‐Azide Cycloadditions
  166. Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory
  167. Half‐Sandwich Metal‐Catalyzed Alkyne [2+2+2] Cycloadditions and the Slippage Span Model
  168. Factors Controlling the Diels–Alder Reactivity of Hetero‐1,3‐Butadienes
  169. A methodology for the photocatalyzed radical trifluoromethylation of indoles: A combined experimental and computational study
  170. Elucidating the Trends in Reactivity of Aza‐1,3‐Dipolar Cycloadditions
  171. Highly Stable and Selective Tetrazines for the Coordination-Assisted Bioorthogonal Ligation with Vinylboronic Acids
  172. Arylic C–X Bond Activation by Palladium Catalysts: Activation Strain Analyses of Reactivity Trends
  173. Anion Recognition by Organometallic Calixarenes: Analysis from Relativistic DFT Calculations
  174. Group 9 Metallacyclopentadienes as Key Intermediates in [2+2+2] Alkyne Cyclotrimerizations. Insight from Activation Strain Analyses
  175. Nucleophilic Substitution (SN 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent
  176. Front Cover: Nucleophilic Substitution (SN 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent (ChemPhysChem 11/2018)
  177. Nucleophilic Substitution (SN 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent
  178. Cover Feature: Ion‐Pair SN2 Reaction of OH− and CH3Cl: Activation Strain Analyses of Counterion and Solvent Effects (Chem. Asian J. 9/2018)
  179. Ion‐Pair SN2 Reaction of OH− and CH3Cl: Activation Strain Analyses of Counterion and Solvent Effects
  180. Nucleophilic Substitution in Solution: Activation Strain Analysis of Weak and Strong Solvent Effects
  181. Tuning Heterocalixarenes to Improve Their Anion Recognition: A Computational Approach
  182. Doppelte CH‐Aktivierung eines maskierten Bismutamid‐Kations
  183. Double CH Activation of a Masked Cationic Bismuth Amide
  184. Origins of the Endo and Exo Selectivities in Cyclopropenone, Iminocyclopropene, and Triafulvene Diels–Alder Cycloadditions
  185. Trifluoromethyl Vinyl Sulfide: A Building Block for the Synthesis of CF3S-Containing Isoxazolidines
  186. Recognition of shorter and longer trimethyllysine analogues by epigenetic reader proteins
  187. Glucose-nucleobase pairs within DNA: impact of hydrophobicity, alternative linking unit and DNA polymerase nucleotide insertion studies
  188. Regioselectivity of the Pauson–Khand reaction in single-walled carbon nanotubes
  189. How Mg2+ ions lower the SN2@P barrier in enzymatic triphosphate hydrolysis
  190. Nature and strength of chalcogen–π bonds
  191. Oxidation of organic diselenides and ditellurides by H2O2for bioinspired catalyst design
  192. Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site
  193. Front Cover: Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site (ChemPhysChem 21/2017)
  194. Integrative Theory/Experiment‐Driven Exploration of a Multicomponent Reaction towards Imidazoline‐2‐(thi)ones
  195. Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site
  196. Cover Feature: Alkali Metal Cation Affinities of Anionic Main Group‐Element Hydrides Across the Periodic Table (Chem. Asian J. 19/2017)
  197. Alkali Metal Cation Affinities of Anionic Main Group‐Element Hydrides Across the Periodic Table
  198. Macrocycles All Aflutter: Substitution at an Allylic Center Reveals the Conformational Dynamics of [13]-Macrodilactones
  199. Kekulene: Structure, stability and nature of H•••H interactions in large PAHs
  200. Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation−π Interactions
  201. Regio- and Stereoselectivity in 1,3-Dipolar Cycloadditions: Activation Strain Analyses for Reactions of Hydrazoic Acid with Substituted Alkenes
  202. Role of Orbital Interactions and Activation Strain (Distortion Energies) on Reactivities in the Normal and Inverse Electron-Demand Cycloadditions of Strained and Unstrained Cycloalkenes
  203. Innentitelbild: Das Distortion/Interaction‐Activation‐Strain‐Modell zur Analyse von Reaktionsgeschwindigkeiten (Angew. Chem. 34/2017)
  204. Inside Cover: Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model (Angew. Chem. Int. Ed. 34/2017)
  205. Cesium's Off‐the‐Map Valence Orbital
  206. Cesium's Off‐the‐Map Valence Orbital
  207. Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model
  208. Das Distortion/Interaction‐Activation‐Strain‐Modell zur Analyse von Reaktionsgeschwindigkeiten
  209. Deracemization of a Racemic Allylic Sulfoxide Using Viedma Ripening
  210. Inside Back Cover: Understanding the Reactivity of Ion-Encapsulated Fullerenes (Chem. Eur. J. 46/2017)
  211. Understanding the Reactivity of Ion-Encapsulated Fullerenes
  212. Nature of the Ru−NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis
  213. Asymmetric identity S N 2 transition states: Nucleophilic substitution at α-substituted carbon and silicon centers
  214. Activation Strain Analysis of SN2 Reactions at C, N, O, and F Centers
  215. Eight-coordinate fluoride in a silicate double-four-ring
  216. B-DNA model systems in non-terran bio-solvents: implications for structure, stability and replication
  217. How the electron-deficient cavity of heterocalixarenes recognizes anions: insights from computation
  218. Front cover
  219. Silylene-Induced Reduction of [Mn2(CO)10]: Formation of a Five-Coordinate Silicon(IV) Complex with an O-Bound [(OC)4Mn=Mn(CO)4]2-Ligand
  220. Enhanced π-Back-Donation as a Way to Higher Coordination Numbers in d10[M(NHC)n] Complexes: A DFT Study
  221. Formation of a Trifluorophosphane Platinum(II) Complex by P−F Bond Activation of Phosphorus Pentafluoride with a Pt0 Complex
  222. Inside Cover: Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model (Chem. Asian J. 23/2016)
  223. 4th International Conference on Chemical Bonding
  224. Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model
  225. New Insights into the Reactivity of Cisplatin with Free and Restrained Nucleophiles: Microsolvation Effects and Base Selectivity in Cisplatin–DNA Interactions
  226. Stereoselective Synthesis of 1-Tuberculosinyl Adenosine; a Virulence Factor of Mycobacterium tuberculosis
  227. Understanding the Oxidative Addition of σ-Bonds to Group 13 Compounds
  228. Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA
  229. Glucose–Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA
  230. Evidence for a chemical clock in oscillatory formation of UiO-66
  231. Addition–Elimination or Nucleophilic Substitution? Understanding the Energy Profiles for the Reaction of Chalcogenolates with Dichalcogenides
  232. Synthesis and Hydrolysis of Alkoxy(aminoalkyl)diorganylsilanes of the Formula Type R2(RO)Si(CH2)nNH2 (R = Alkyl, n = 1–3): A Systematic Experimental and Computational Study
  233. Reaction Mechanism and Regioselectivity of the Bingel-Hirsch Addition of Dimethyl Bromomalonate to La@C 2v -C82
  234. Alkali Metal Cation versus Proton and Methyl Cation Affinities: Structure and Bonding Mechanism
  235. Inside Back Cover: Ion-Pair SN 2 Substitution: Activation Strain Analyses of Counter-Ion and Solvent Effects (Chem. Eur. J. 13/2016)
  236. Ion-Pair SN 2 Substitution: Activation Strain Analyses of Counter-Ion and Solvent Effects
  237. Inside Cover: Source of Cooperativity in Halogen-Bonded Haloamine Tetramers (ChemPhysChem 4/2016)
  238. (4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature
  239. Source of Cooperativity in Halogen-Bonded Haloamine Tetramers
  240. Editorial for PCCP themed issue “Developments in Density Functional Theory”
  241. Reactivity and Selectivity of Bowl-Shaped Polycyclic Aromatic Hydrocarbons: Relationship to C60
  242. Chemical basis for the recognition of trimethyllysine by epigenetic reader proteins
  243. Substituent effects on the optical properties of naphthalenediimides: A frontier orbital analysis across the periodic table
  244. Reactivity of the Donor‐Stabilized Silylenes [iPrNC(Ph)NiPr]2Si and [iPrNC(NiPr2)NiPr]2Si: Activation of CO2 and CS2
  245. Inside Back Cover: Selective C−H and C−C Bond Activation: Electronic Regimes as a Tool for Designing d10MLnCatalysts (Chem. Asian J. 10/2015)
  246. Cover Picture: Factors Controlling β‐Elimination Reactions in Group 10 Metal Complexes (Chem. Eur. J. 41/2015)
  247. Innenrücktitelbild: Six‐Coordinate Group 13 Complexes: The Role of d Orbitals and Electron‐Rich Multi‐Center Bonding (Angew. Chem. 41/2015)
  248. Inside Back Cover: Six‐Coordinate Group 13 Complexes: The Role of d Orbitals and Electron‐Rich Multi‐Center Bonding (Angew. Chem. Int. Ed. 41/2015)
  249. Role of Steric Attraction and Bite-Angle Flexibility in Metal-Mediated C–H Bond Activation
  250. Factors Controlling β-Elimination Reactions in Group 10 Metal Complexes
  251. Stable Four‐Coordinate Guanidinatosilicon(IV) Complexes with SiN3El Skeletons (El=S, Se, Te) and SiEl Double Bonds
  252. Six‐Coordinate Group 13 Complexes: The Role of d Orbitals and Electron‐Rich Multi‐Center Bonding
  253. Six‐Coordinate Group 13 Complexes: The Role of d Orbitals and Electron‐Rich Multi‐Center Bonding
  254. Selective C−H and C−C Bond Activation: Electronic Regimes as a Tool for Designing d10MLnCatalysts
  255. Computational (DFT) and Experimental (EXAFS) Study of the Interaction of [Ir(IMes)(H)2(L)3] with Substrates and Co‐substrates Relevant for SABRE in Dilute Systems
  256. The activation strain model and molecular orbital theory
  257. Inside Back Cover: Understanding the Reactivity of Endohedral Metallofullerenes: C78 versus Sc3N@C78 (Chem. Eur. J. 15/2015)
  258. Understanding the Reactivity of Endohedral Metallofullerenes: C78versus Sc3N@C78
  259. Is There a Need to Discuss Atomic Orbital Overlap When Teaching Hydrogen–Halide Bond Strength and Acidity Trends in Organic Chemistry?
  260. Activation-Strain Analysis Reveals Unexpected Origin of Fast Reactivity in Heteroaromatic Azadiene Inverse-Electron-Demand Diels–Alder Cycloadditions
  261. Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands
  262. Direct detection of the mercury–nitrogen bond in the thymine–HgII–thymine base-pair with 199Hg NMR spectroscopy
  263. Highly accelerated inverse electron-demand cycloaddition of electron-deficient azides with aliphatic cyclooctynes
  264. Reactions of the Donor-Stabilized Silylene Bis[N,N′-diisopropyl-benzamidinato(−)]silicon(II) with Brønsted Acids
  265. Controlling the oxidative addition of aryl halides to Au(I)
  266. Origin of Reactivity Trends of Noble Gas Endohedral Fullerenes Ng 2 @C 60 (Ng = He to Xe)
  267. Inside Cover: New Concepts for Designing d10-M(L)nCatalysts: d Regime, s Regime and Intrinsic Bite-Angle Flexibility (Chem. Eur. J. 36/2014)
  268. Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Lewis Acid/Base Reactions with Triorganylboranes
  269. Thermodynamics of the CuII μ-Thiolate and CuI Disulfide Equilibrium: A Combined Experimental and Theoretical Study
  270. New Concepts for Designing d10-M(L)nCatalysts: d Regime, s Regime and Intrinsic Bite-Angle Flexibility
  271. Rationalizing the Structural Variability of the Exocyclic Amino Groups in Nucleobases and Their Metal Complexes: Cytosine and Adenine
  272. Top-Beiträge aus unseren Schwesterzeitschriften: Angew. Chem. 47/2015
  273. Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X
  274. The many faces of halogen bonding: a review of theoretical models and methods
  275. Silicon α-Effect: A Systematic Experimental and Computational Study of the Hydrolysis of C α - and C γ -Functionalized Alkoxytriorganylsilanes of the Formula Type ROSiMe 2 (CH 2 ) n X (R = Me, Et; n = 1, 3; X = Functional Group)
  276. Diastereoselective One-Pot Synthesis of Tetrafunctionalized 2-Imidazolines
  277. The Donor-Stabilized Silylene Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Synthesis, Electronic Structure, and Reactivity
  278. Theoretical and Experimental Study of Charge Transfer through DNA: Impact of Mercury Mediated T-Hg-T Base Pair
  279. The EDA Perspective of Chemical Bonding
  280. Stabilisation of 2,6-Diarylpyridinium Cation by Through-Space Polar-π Interactions
  281. Ene-ene-yne Reactions: Activation Strain Analysis and the Role of Aromaticity
  282. Understanding E2 versus SN 2 Competition under Acidic and Basic Conditions
  283. The substituent effect on benzene dications
  284. The activation strain model and molecular orbital theory: understanding and designing chemical reactions
  285. B-DNA structure and stability: the role of hydrogen bonding, π–π stacking interactions, twist-angle, and solvation
  286. d10-ML2 Complexes: Structure, Bonding, and Catalytic Activity
  287. ChemInform Abstract: Reactivity in Nucleophilic Vinylic Substitution (SNV): SNVπversus SNVσMechanistic Dichotomy.
  288. Origin of the “endo rule” in Diels-Alder reactions
  289. Indenyl Effect Due to Metal Slippage? Computational Exploration of Rhodium‐Catalyzed Acetylene [2+2+2] Cyclotrimerization
  290. How the disulfide conformation determines the disulfide/thiol redox potential
  291. Back Cover: In Silico Design of Heteroaromatic Half-Sandwich Rh I Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect (Chem. Eur. J. 40/2013)
  292. Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N , S -Pyridine-2-thiolato(−) Ligands
  293. Normal-to-Abnormal Rearrangement and NHC Activation in Three-Coordinate Iron(II) Carbene Complexes
  294. Reactivity in Nucleophilic Vinylic Substitution (S N V):S N Vπ versus S N Vσ Mechanistic Dichotomy
  295. In Silico Design of Heteroaromatic Half-Sandwich RhICatalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect
  296. Aggregation and Cooperative Effects in the Aldol Reactions of Lithium Enolates
  297. B-DNA Structure and Stability as Function of Nucleic Acid Composition: Dispersion-Corrected DFT Study of Dinucleoside Monophosphate Single and Double Strands
  298. Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H−+CH4 ® CH4+H−
  299. Erratum: Inter- and intramolecular dispersion interactions
  300. Self-Assembly of N 3 -Substituted Xanthines in the Solid State and at the Solid–Liquid Interface
  301. Cover Picture: Nonlinear d10 -ML2 Transition-Metal Complexes (ChemistryOpen 3/2013)
  302. Nonlinear d10 -ML2 Transition-Metal Complexes
  303. Nonlinear d10 -ML2 Transition-Metal Complexes
  304. ChemInform Abstract: X2Y2Isomers: Tuning Structure and Relative Stability Through Electronegativity Differences (X: H, Li, Na, F, Cl, Br, I; Y: O, S, Se, Te).
  305. Why Do Cycloaddition Reactions Involving C60Prefer [6,6] over [5,6] Bonds?
  306. Stereodivergent S N 2@P Reactions of Borane Oxazaphospholidines: Experimental and Theoretical Studies
  307. X 2 Y 2 Isomers: Tuning Structure and Relative Stability through Electronegativity Differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te)
  308. Supramolecular H-bonded porous networks at surfaces: exploiting primary and secondary interactions in a bi-component melamine–xanthine system
  309. Symmetrical P4 cleavage at cobalt half sandwich complexes [(η5-C5H5)Co(L)] (L = CO, NHC) – a computational case study on the mechanism of symmetrical P4 degradation to P2 ligands
  310. Supramolecular Ring Structures of 7-Methylguanine: A Computational Study of Its Self-assembly and Anion Binding
  311. Complexes of 4-substituted phenolates with HF and HCN: Energy decomposition and electronic structure analyses of hydrogen bonding
  312. A computational study on the reactivity enhancement in the free radical polymerization of alkyl α‐hydroxymethacrylate and acrylate derivatives
  313. Solvent effects on hydrogen bonds in Watson–Crick, mismatched, and modified DNA base pairs
  314. Cover Picture: Type-I Dyotropic Reactions: Understanding Trends in Barriers (Chem. Eur. J. 39/2012)
  315. Type-I Dyotropic Reactions: Understanding Trends in Barriers
  316. Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment
  317. Neutral Pentacoordinate Halogeno- and Pseudohalogenosilicon(IV) Complexes with a Tridentate Dianionic O,N,O or N,N,O Ligand: Synthesis and Structural Characterization in the Solid State and in Solution
  318. Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective
  319. The Role of Protein Plasticity in Computational Rationalization Studies on Regioselectivity in Testosterone Hydroxylation by Cytochrome P450 BM3 Mutants
  320. Theoretical Study of the Structure and Bonding in ThC 2 and UC 2
  321. On the origin of the steric effect
  322. Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand
  323. Guanine, Xanthine and Uric Acid Assemblies: Comparative Theoretical and Experimental Studies
  324. A new DFT functional based on spin-states and SN2 barriers
  325. Alder-ene reaction: Aromaticity and activation-strain analysis
  326. Organomagnesium clusters: Structure, stability, and bonding in archetypal models
  327. Silver(I)-mediated Hoogsteen-type base pairs
  328. Telomere Structure and Stability: Covalency in Hydrogen Bonds, Not Resonance Assistance, Causes Cooperativity in Guanine Quartets
  329. tert -Butyl Cation Affinities of Maingroup-Element Hydrides: Effect of Methyl Substituents at the Protophilic Center
  330. Remote Communication in a DNA-Based Nanoswitch
  331. Alkali-Metal-Supported Bismuth Polyhedra—Principles and Theoretical Studies
  332. Contiguous Metal‐Mediated Base Pairs Comprising Two Ag I Ions
  333. Regioselectivity in Electrophilic Aromatic Substitution: Insights from Interaction Energy Decomposition Potentials
  334. Aromaticity and Activation Strain Analysis of [3 + 2] Cycloaddition Reactions between Group 14 Heteroallenes and Triple Bonds
  335. Chimeric GNA/DNA metal-mediated base pairs
  336. Selectivity in DNA replication. Interplay of steric shape, hydrogen bonds, π-stacking and solvent effects
  337. A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory
  338. Multiscale modelling
  339. Radon hydrides: structure and bonding
  340. All-metal aromatic clusters M42− (M = B, Al, and Ga). Are π-electrons distortive or not?
  341. Steric nature of the bite angle. A closer and a broader look
  342. 3-Substituted xanthines as promising candidates for quadruplex formation: computational, synthetic and analytical studies
  343. Neutral and positively charged new purine tetramer structures: a computational study of xanthine and uric acid derivatives
  344. Inter‐ and intramolecular dispersion interactions
  345. Tandem mass spectrometry of silver-adducted ferrocenyl catalyst complexes
  346. ChemInform Abstract: The Activation Strain Model of Chemical Reactivity
  347. Steric effects on alkyl cation affinities of maingroup-element hydrides
  348. Density Functional Calculations of E2 and SN2 Reactions: Effects of the Choice of Method, Algorithm, and Numerical Accuracy
  349. Methyl Cation Affinities of Neutral and Anionic Maingroup-Element Hydrides: Trends Across the Periodic Table and Correlation with Proton Affinities
  350. ChemInform Abstract: Scope and Limitations of an Efficient Four-Component Reaction for Dihydropyridin-2-ones.
  351. ChemInform Abstract: Understanding Reactivity with Kohn-Sham Molecular Orbital Theory: E2-SN2 Mechanistic Spectrum and Other Concepts
  352. ChemInform Abstract: 1,4-Diphosphabutadiyne: A Realistic Target for Synthesis? A Theoretical Investigation of C2P2, C2N2, [Cr(CO)5PCCP], and [(CO)5Cr(PCCP)Cr(CO)5].
  353. ChemInform Abstract: The Short N-F Bond in N2F+ and How Pauli Repulsion Influences Bond Lengths. Theoretical Study of N2X+, and NF3X+ and NH3X+ (X: F, H)
  354. Stacked DNA-base quartets: Structure, chemistry and computational intricacies
  355. Comment on “The Interplay between Steric and Electronic Effects in SN2 Reactions”
  356. E2 and S N 2 Reactions of X − + CH 3 CH 2 X (X = F, Cl); an ab Initio and DFT Benchmark Study
  357. Catalyst selection based on intermediate stability measured by mass spectrometry
  358. Scope and Limitations of an Efficient Four-Component Reaction for Dihydropyridin-2-ones
  359. C(CN)5–: transition state or intermediate?
  360. The activation strain model of chemical reactivity
  361. Halogen versus halide electronic structure
  362. Double Group Transfer Reactions: Role of Activation Strain and Aromaticity in Reaction Barriers
  363. A chemist's guide to valence bond theory
  364. Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The Effect of Microsolvation
  365. Differential stabilization of adenine quartets by anions and cations
  366. Adenine versus guanine quartets in aqueous solution: dispersion-corrected DFT study on the differences in π-stacking and hydrogen-bonding behavior
  367. A new all-round density functional based on spin states and SN2 barriers
  368. Alkali Metal Complexes of Silyl-Substituted ansa -(Tris)allyl Ligands: Metal-, Co-Ligand- and Substituent-Dependent Stereochemistry
  369. Hypervalent Carbon Atom: “Freezing” the SN2 Transition State
  370. Hypervalent Carbon Atom: “Freezing” the SN2 Transition State
  371. Bonding of Xenon Hydrides
  372. Switching between OPTX and PBE exchange functionals
  373. Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Pairing
  374. Bond activation by group-11 transition-metal cations1
  375. The Steric Nature of the Bite Angle
  376. Dihydrogen Bonding: Donor-Acceptor Bonding (AH⋅⋅⋅HX) versus the H2Molecule (AH2X)
  377. A Ditopic Ion‐Pair Receptor Based on Stacked Nucleobase Quartets
  378. A Ditopic Ion‐Pair Receptor Based on Stacked Nucleobase Quartets
  379. ChemInform Abstract: Tricarbonylchromium Complexes of [5]- and [6]-Metacyclophane: An Experimental and Theoretical Study.
  380. A Helicoid Ferrocene
  381. Bonding capabilities of imidazol-2-ylidene ligands in group-10 transition-metal chemistry
  382. Trends and anomalies in H–AHn and CH3–AHn bond strengths (AHn = CH3, NH2, OH, F)
  383. Stepwise walden inversion in nucleophilic substitution at phosphorus
  384. π-Electronic communication through mono and multinuclear gold(I) complexes
  385. Rare Tautomers of 1‐Methyluracil and 1‐Methylthymine: Tuning Relative Stabilities through Coordination to PtII Complexes
  386. Aromaticity and Antiaromaticity in 4-, 6-, 8-, and 10-Membered Conjugated Hydrocarbon Rings†
  387. Tricarbonylchromium complexes of [5]- and [6]metacyclophane: an experimental and theoretical study
  388. The Grignard Reagent Formation Reaction of 2-Chloro-1,1,1-triphenylethane Revisited
  389. Nucleophilicity and Leaving-Group Ability in Frontside and Backside S N 2 Reactions
  390. Role of the variable active site residues in the function of thioredoxin family oxidoreductases
  391. Attraktiv und überzeugend
  392. Attractive and Convincing
  393. Frontside versus Backside SN2 Substitution at Group 14 Atoms: Origin of Reaction Barriers and Reasons for Their Absence
  394. Hypervalent versus Nonhypervalent Carbon in Noble-Gas Complexes
  395. Intercalation of Daunomycin into Stacked DNA Base Pairs. DFT Study of an Anticancer Drug
  396. Linkage Isomerism of Nitriles in Rhodium Half-Sandwich Metallacycles
  397. Bonding of Imidazol-2-ylidene Ligands in Nickel Complexes
  398. Reaction Coordinates and the Transition-Vector Approximation to the IRC
  399. E2 and S N 2 Reactions of X − + CH 3 CH 2 X (X = F, Cl); an ab Initio and DFT Benchmark Study
  400. Watson-crick base pairs with thiocarbonyl groups: How sulfur changes the hydrogen bonds in DNA
  401. Role of s−p Orbital Mixing in the Bonding and Properties of Second-Period Diatomic Molecules
  402. Mechanism of Thioredoxin-Catalyzed Disulfide Reduction. Activation of the Buried Thiol and Role of the Variable Active-Site Residues
  403. Nucleophilic Substitution at C, Si and P: How Solvation Affects the Shape of Reaction Profiles
  404. Nucleophilic Substitution at C, Si and P: How Solvation Affects the Shape of Reaction Profiles (Eur. J. Org. Chem. 4/2008)
  405. Cover Picture: Hypervalent Silicon versus Carbon: Ball-in-a-Box Model (Chem. Eur. J. 3/2008)
  406. Hypervalent Silicon versus Carbon: Ball-in-a-Box Model
  407. Hydrogen bonding of 3- and 5-methyl-6-aminouracil with natural DNA bases
  408. Aromaticity in Heterocyclic and Inorganic Benzene Analogues
  409. Nucleophilic Substitution at Phosphorus Centers (SN2@P)
  410. Aromaticity: Molecular-Orbital Picture of an Intuitive Concept
  411. QUILD: QUantum‐regions interconnected by local descriptions
  412. Hypervalence and the delocalizing versus localizing propensities of H 3 – , Li 3 – , CH 5 – and SiH 5 –
  413. π-π stacking tackled with density functional theory
  414. Proton Affinities in Water of Maingroup‐Element Hydrides – Effects of Hydration and Methyl Substitution
  415. Aromaticity: Molecular-Orbital Picture of an Intuitive Concept
  416. Cover Picture: Aromaticity: Molecular-Orbital Picture of an Intuitive Concept (Chem. Eur. J. 22/2007)
  417. Cyclotrimerization Reactions Catalyzed by Rhodium(I) Half-Sandwich Complexes:  A Mechanistic Density Functional Study
  418. Outer valence orbital response to proton positions in prototropic tautomers of adenine
  419. Transition-State Energy and Position along the Reaction Coordinate in an Extended Activation Strain Model
  420. Table Salt and Other Alkali Metal Chloride Oligomers:  Structure, Stability, and Bonding
  421. Didehydrophenanthrenes:  Structure, Singlet−Triplet Splitting, and Aromaticity
  422. Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods
  423. Nucleophilic Substitution at Silicon (S N 2@Si) via a Central Reaction Barrier
  424. Catalytic Carbon−Halogen Bond Activation:  Trends in Reactivity, Selectivity, and Solvation
  425. Conformational Behavior of Basic Monomeric Building Units of Glycosaminoglycans:  Isolated Systems and Solvent Effect
  426. Polycyclic Benzenoids:  Why Kinked is More Stable than Straight
  427. Trapping of the highly strained [5](2,4)quinolinophane system
  428. Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry
  429. Highly polar bonds and the meaning of covalency and ionicity—structure and bonding of alkali metal hydride oligomers
  430. General Discussion
  431. General Discussion
  432. PyFrag—Streamlining your reaction path analysis
  433. Orbital Overlap and Chemical Bonding
  434. Marcel Swart, Matthias Bickelhaupt, Optimization of strong and weak coordinates, International Journal of Quantum Chemistry (2006) 106(12), 2536–2544.
  435. Oxidative addition to main group versus transition metals: Insights from the Activation Strain model
  436. Nanoswitches Based on DNA Base Pairs: Why Adenin–Thymine is Less Suitable than Guanine–Cytosine
  437. Performance of various density functionals for the hydrogen bonds in DNA base pairs
  438. Nucleophilic Substitution at Phosphorus (SN2@P):  Disappearance and Reappearance of Reaction Barriers
  439. Oxidative Addition versus Dehydrogenation of Methane, Silane, and Heavier AH 4 Congeners Reacting with Palladium
  440. Proton affinities of maingroup‐element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation
  441. Covalency in Highly Polar Bonds. Structure and Bonding of Methylalkalimetal Oligomers (CH 3 M) n (M = Li−Rb; n = 1, 4)
  442. [η2-8-(tert-Butylimino)-1-naphthyl]bis(η5-cyclopentadienyl)titanium(IV)
  443. Oxidative Addition of Hydrogen Halides and Dihalogens to Pd. Trends in Reactivity and Relativistic Effects
  444. Supramolecular Switches Based on the Guanine–Cytosine (GC) Watson–Crick Pair: Effect of Neutral and Ionic Substituents
  445. Bonding in Methylalkalimetals (CH 3 M) n (M = Li, Na, K; n = 1, 4). Agreement and Divergences between AIM and ELF Analyses †
  446. Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist
  447. A Model of the Chemical Bond Must Be Rooted in Quantum Mechanics, Provide Insight, and Possess Predictive Power
  448. Theoretical study of structure, pKa, lipophilicity, solubility, absorption, and polar surface area of some centrally acting antihypertensives
  449. Oxidative Addition of the Chloromethane C−Cl Bond to Pd, an ab Initio Benchmark and DFT Validation Study
  450. Adenine Tautomers:  Relative Stabilities, Ionization Energies, and Mismatch with Cytosine
  451. α-Stabilisierung von Carbanionen: Fluor übertrifft die schwereren Halogene
  452. α-Stabilization of Carbanions: Fluorine Is More Effective than the Heavier Halogens
  453. Structure and bonding of methyl alkali metal molecules
  454. Optimization of strong and weak coordinates
  455. Watson–Crick hydrogen bonds: nature and role in DNA replication
  456. Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving CH proton donor and F proton acceptor groups
  457. Covalentversus ionic bonding in alkalimetal fluoride oligomers
  458. Proton Affinities of Anionic Bases:  Trends Across the Periodic Table, Structural Effects, and DFT Validation
  459. High-resolution infrared spectroscopy of the charge-transfer complex [Ar–N2]+∙: A combined experimental/theoretical study
  460. Oxidative Addition of the Fluoromethane C−F Bond to Pd. An ab Initio Benchmark and DFT Validation Study
  461. Absolute Rates of Hole Transfer in DNA
  462. Multicomponent Synthesis of 2‐Imidazolines.
  463. Oxidative addition of the ethane CC bond to Pd. An ab initio benchmark and DFT validation study
  464. (μ2-η2-2-tert-Butylethyn-1-yl)(μ2-chloro)bis{[bis(η5-cyclopentadienyl)dimethylsilane]titanium}
  465. DFT benchmark study for the oxidative addition of CH4 to Pd. Performance of various density functionals
  466. Substituent Effects on Hydrogen Bonding in Watson–Crick Base Pairs. A Theoretical Study
  467. Activation of C–H, C–C and C–I bonds by Pd and cis-Pd(CO)2I2. Catalyst–substrate adaptation
  468. Multicomponent Synthesis of 2-Imidazolines
  469. Fragment-oriented design of catalysts based on the activation strain model
  470. Activation of H−H, C−H, C−C and C−Cl Bonds by Pd and PdCl - . Understanding Anion Assistance in C−X Bond Activation
  471. Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si)
  472. Hydrogen Bonds of RNA Are Stronger than Those of DNA, but NMR Monitors Only Presence of Methyl Substituent in Uracil/Thymine
  473. Ab initio benchmark study for the oxidative addition of CH4 to Pd: Importance of basis-set flexibility and polarization
  474. Activation of H−H, C−H, C−C, and C−Cl Bonds by Pd(0). Insight from the Activation Strain Model
  475. The rotation barrier in ethane
  476. Investigations on the Reactivity of Bis(bromomagnesio)trimethylsilylmethane − Molecular Structure of a Tebbe‐Type Spiro‐Organomagnesium Compound
  477. Hydrogen Bonding in Mimics of Watson–Crick Base Pairs Involving CH Proton Donor and F Proton Acceptor Groups: A Theoretical Study
  478. (μ‐Methylene)bis(methylzirconocene): Preparation, Molecular Structure, and Thermal Disproportionation
  479. In Quest of the Double Rotaxane Formation of the Bis(coronand) (1,5),(2,4)‐Durenetetrayl‐bis(18‐crown‐5) with Organomagnesium Compounds
  480. Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies
  481. Mapping the Sites for Selective Oxidation of Guanines in DNA
  482. The Case for Steric Repulsion Causing the Staggered Conformation of Ethane
  483. The Case for Steric Repulsion Causing the Staggered Conformation of Ethane
  484. Book Review: Valence Bond Methods-Theory and Applications. By Gordon A. Gallup
  485. Orbital interactions and charge redistribution in weak hydrogen bonds: The Watson–Crick AT mimic adenine-2,4-difluorotoluene
  486. 6-Phenyldibenzo[b,d]phosphinine
  487. The Substituent Effect of the Phosphaalkenyl Group
  488. Investigations on 1‐Metallaindanes
  489. Buchbesprechung: Essentials of Computational Chemistry Theories and Models. Von Christopher J. Cramer
  490. Book Review: Essentials of Computational Chemistry Theories and Models. By Christopher J. Cramer
  491. Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
  492. Tackling DNA with Density Functional Theory: Development and Application of Parallel and Order- N DFT Methods
  493. Orbitalwechselwirkungen in starken und schwachen Wasserstoffbrücken sind essentiell für die DNA-Replikation Wir danken der Stiftung Nationale Computerfaciliteiten (NCF) der Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) für finanzielle U...
  494. Orbital Interactions in Strong and Weak Hydrogen Bonds are Essential for DNA Replication We thank the National Research School Combination—Catalysis (NRSCC) for a postdoctoral fellowship for C.F.G. and the National Computer Facilities (NCF) foundation ...
  495. Orbital Interactions in Hydrogen Bonds Important for Cohesion in Molecular Crystals and Mismatched Pairs of DNA Bases
  496. Carbanions as Intermediates in the Formation of Grignard Reagents
  497. The Short N−F Bond in N 2 F + and How Pauli Repulsion Influences Bond Lengths. Theoretical Study of N 2 X + , NF 3 X + , and NH 3 X + (X = F, H)
  498. Unusual Reactions of Halo[5]metacyclophanes
  499. Buchbesprechung: Computational Chemistry. A Practical Guide for Applying Techniques to Real World Problems. Von David Young
  500. Book Review: Computational Chemistry. A Practical Guide for Applying Techniques to Real World Problems. By David Young
  501. OLIGOMERIC 1,2-DIHYDRO-1-MAGNESACYCLOBUTA[a]NAPHTHALENE
  502. Synthesis of 4,4-dimethyl-3,5-bis(diphenylphosphino)cyclohexanone
  503. Oxidative addition of Pd to C–H, C–C and C–Cl bonds: Importance of relativistic effects in DFT calculations
  504. Some Investigations on [6]Metacyclophanes
  505. Synthesis and anomalous structure–reactivity relationship of 8,11-dichloro[5]metacyclophan-3-one
  506. ChemInform Abstract: (Ph4P)S6 - A Compound Containing the Cyclic Radical Anion S6×-.
  507. X-ray Crystal Structures and Conformational Analysis of Bicyclo[5.3.1]undec-1(11)-enes:  Twisting versus Pyramidalization in Anti-Bredt Olefins
  508. Base-induced 1,4-elimination:Insights from theory and mass spectrometry
  509. Chemistry with ADF
  510. 1,8-NAPHTHALENEDIYLZINC
  511. 1-BROMO-2,6-BIS(CHLOROMAGNESIOMETHYL)BENZENE FROM THE ATTEMPTED SYNTHESIS OF A DOUBLY BENZYLIC 1,3,5-TRI-GRIGNARD REAGENT
  512. 3-Aza[5]metacyclophanes: Synthesis and Reactions
  513. UNEXPECTED FORMATION OF THE FIRST DOUBLY BENZYLIC 1,1-DI-GRIGNARD REAGENT
  514. (Ph4P)S6 – eine Verbindung mit dem cyclischen Radikalanion S6.−
  515. (Ph4P)S6—A Compound Containing the Cyclic Radical Anion S6.
  516. (Ph4P)S6—A Compound Containing the Cyclic Radical Anion S6.−
  517. Structure and Bonding of Transition Metal−Boryl Compounds. Theoretical Study of [(PH 3 ) 2 (CO)ClOs−BR 2 ] and [(PH 3 ) 2 (CO) 2 ClOs−BR 2 ] (BR 2 = BH 2 , BF 2 , B(OH) 2 , B(OCHCHO), Bcat) †
  518. The Nature of the Transition Metal−Carbonyl Bond and the Question about the Valence Orbitals of Transition Metals. A Bond-Energy Decomposition Analysis of TM(CO) 6 q (TM q = Hf 2 - , Ta - , W, Re + , Os 2+ , Ir 3+ ) †
  519. Dichlorocarbene Addition to [5]Metacyclophane; Experimental and Calculational Evidence for a [1,5] Sigmatropic Chlorine Shift in a Bridged Cycloheptatriene
  520. Hydrogenation of [5]- and [6]Metacyclophane: Reactivity and Thermochemistry
  521. Hydrogen Bonding in DNA Base Pairs:  Reconciliation of Theory and Experiment
  522. The First Free 7λ3-Phosphanorbornadiene
  523. The 2-Vinylphosphirane−3-Phospholene Rearrangement:  Biradicaloid and Concerted Features
  524. Introduction of Bulky Substituents at the Bridgehead Position of a 9-Silatriptycene:  Pentacoordinate Hydridoorganylsilicates as Intermediates
  525. Structures and strain energies of small [n]metacyclophanes
  526. 1,4-Addition of a Phosphinidene Complex to Cisoid 1,3-Dienes
  527. Synthesis of 1,3,5-tri- and 1,2,4,5-tetrasubstituted tin and mercury derivatives of benzene. Crystal structure of 1,3,5-tris(chloromercurio)benzene
  528. Reviews in Computational Chemistry
  529. The Nature of the Hydrogen Bond in DNA Base Pairs: The Role of Charge Transfer and Resonance Assistance
  530. Ladungstransfer und molekulare Umgebung sind verantwortlich für Eigenschaften von Wasserstoffbrücken in DNA-Basenpaaren
  531. Charge Transfer and Environment Effects Responsible for Characteristics of DNA Base Pairing
  532. Charge Transfer and Environment Effects Responsible for Characteristics of DNA Base Pairing
  533. Koordinationseigenschaften der isolobalen Phosphaniminatound Cyclopentadienyl-Liganden in TiCl3(NPH3), TiCl3Cp, ReO3(NPH3) und ReO3Cp
  534. Chiroptical properties of 12,15-dichloro[3.0]orthometacyclophane—correlations between molecular structure and circular dichroism spectra of a biphenylophane
  535. 1,2-Dimetalated Benzene Derivatives (1,2-C6H4MCH3)n of Group 13 (M = Al, Ga, In)
  536. Synthesis of Novel Phosphaalkene-Based Bidentate Ligands Mes*PCH(3-R-Ar) (R = Pyridyl, Carbaldimino) and Formation of Three-Membered Palladacycles Mes*(Me)P−CH(3-R-Ar)−PdCl by Carbapalladation of the PC Double Bond
  537. Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts
  538. 1,4-Diphosphabutadiyne: A Realistic Target for Synthesis? A Theoretical Investigation of C2P2, C2N2, [Cr(CO)5PCCP], and [(CO)5Cr(PCCP)Cr(CO)5]
  539. Travelling the organometallic road: a Wittig student’s journey from lithium to magnesium and beyond
  540. Intraannular functionalization of the 1,3-phenylene-19-crown-6 system via bromine–lithium exchange
  541. Nature of the Three-Electron Bond in H 2 S∴SH 2 +   †
  542. Sulfur–sulfur three-electron bond dissociation enthalpies of dialkyl sulfide dimer radical cations
  543. Kristallstruktur und Bindungsverhältnisse von [W(O-t-Bu)4(THF)]
  544. Kristallstruktur und Bindungsverhältnisse von [W(O-t-Bu)4(THF)]
  545. 1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene
  546. 1,4-Addition of a Terminal Phosphinidene Complex to [5]Metacyclophane
  547. Unusual reactivity of highly strained cyclophanes
  548. Synthesis of Alkynyl-Substituted 9,10-Dimetallatriptycenes of Group 14 and Their Application in the Preparation of a Novel Class of Organometallic Oligomers
  549. 12,15-Dichloro[3.0]orthometacyclophane:  A Highly Strained Biphenylophane
  550. Intramolecularly alkylated Cosalen complexes: thermolysis and photolysis of coenzyme B12 models with a cobalt-to-ligand carbon bridge
  551. Is CO a Special Ligand in Organometallic Chemistry? Theoretical Investigation of AB, Fe(CO)4AB, and Fe(AB)5 (AB = N2, CO, BF, SiO)
  552. Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono- and Binuclear First-Row Transition Metal Complexes
  553. 9,10-Dimetallatriptycenes of group 14: a structural study1Dedicated to Prof. Dr. K. Wade at the occasion of his 65th birthday in friendship and appreciation.1
  554. Might BF and BNR2 be alternatives to CO? A theoretical quest for new ligands in organometallic chemistry
  555. Formation of 1,3,5-Trilithiobenzene and Its Conversion to the Corresponding Magnesium, Mercury, and Tin Derivatives
  556. “Forbidden” Four-Center Reactions:  Molecular Orbital Considerations for N 2 + N 2 and N 2 + N 2 +
  557. 7,14-Dichloro[1.1]metacyclophane:  A Highly Strained Aromatic Intermediate
  558. The molecular structure of a germacyclobutane by gas electron diffraction and ab initio molecular orbital calculations
  559. Synthesis of 2-(2-Pyridyl)phosphaalkenes [Mes*PC(R)Py] (R = H, SiMe3) and Their Complexes η1,η1-[Mes*PC(R)Py]XPdCl (X = Cl, Me, Ac)
  560. Palladium(0) mediated coupling of bromophosphaalkenes with Grignard reagents
  561. Noncovalent Interactions in Organometallic Compounds: Formation of an Intramolecular Metal–Carbon Ion Pair in Zirconium Borate Betaines
  562. New one-pot synthesis of a benzonorcaradiene derivative by reduction of naphthalic anhydride with LiAlH4
  563. 8,11-Dichloro-N-tosyl-3-aza[5]metacyclophane:  A Highly Strained Aromatic System
  564. Synthesis and X-ray crystal structure of 2-(methoxymethyl) phenyldicyclopentadienyltitanium(III)
  565. A SIMPLE ONE POT SYNTHESIS OF 1-CHLOROPHOSPHOLES
  566. Functionalization of 1,3-Phenylene-16-crown-5 via Direct Lithiation
  567. 9,10‐Dimetallatriptycenes of Group 14: A Novel Synthetic Approach from ortho‐Phenylenemagnesium
  568. Synthesis and Structure of ortho‐Phenylenezinc
  569. Easy Preparation of 1,3-Di-tert-Butylbenzene and Some Derivatives Thereof
  570. Selective Synthesis of (Unsymmetrical) Aromatic Biscoronands
  571. The Effect of Microsolvation on E2 and SN2 Reactions: Theoretical Study of the Model System F− + C2H5F +nHF
  572. Rotational and rovibrational spectrum of C15NC15N in the region of the bending modes ν4, ν5, the combination band ν4 + ν5 and the Fermi interacting modes ν3, 2ν4
  573. The formation of catenanes. The Möbius strip approach revisited
  574. Reactivity of Organozinc Derivatives of Phosphinines
  575. Synthesis and Reactivity of 2-Iodophosphinines
  576. Reactivity of (Phosphaalkenyl)metal Species:  Transmetalations and Reactions with Carbonyl Compounds
  577. The remarkable electron impact mass spectrum of (2-benzyl-1,3-xylylene)-15-crown-4: expulsion of triethylene glycol by double hydrogen transfer
  578. The Carbon−Lithium Electron Pair Bond in (CH 3 Li) n ( n = 1, 2, 4)
  579. CH 3 • Is Planar Due to H−H Steric Repulsion. Theoretical Study of MH 3 • and MH 3 Cl (M = C, Si, Ge, Sn)
  580. Gas-Phase Base-Induced 1,4-Eliminations:  Occurrence of Single-, Double-, and Triple-Well E1cb Mechanisms J . Am . Chem . Soc . 1995 , 117 , 9889−9899
  581. The Synthetic Potential ofC-Halophosphaalkenes
  582. 6,7‐Bis(methoxycarbonyl)‐2,3‐dimethyl‐[5](1,4)naphthalenophane, the First Benzoannelated [5]Paracyclophane
  583. Diels-Alder Reactions of Trichlorophosphaethene
  584. Intramolecular Coordination in Organometallic Compounds of Groups 2, 12, and 13
  585. Gas-Phase Base-Induced 1,4-Eliminations: Occurrence of Single-, Double-, and Triple-Well E1cb Mechanisms
  586. ChemInform Abstract: Structure and Stability of the Li2CN Molecule. An Experimental and ab Initio Study.
  587. Oxidative Insertion as Frontside SN2 Substitution: A Theoretical Study of the Model Reaction System Pd + CH3Cl
  588. Synthesis and Characterization of β‐Phosphaenones An Investigation on the Conjugative Properties of the PC Bond
  589. Theoretical investigation of the relative stabilities ofXSSXandX2SS isomers (X= F, Cl, H, and CH3)
  590. Structure and Stability of the Li2CN Molecule. An Experimental and ab Initio Study
  591. Intramolecularly alkylated Costa complexes: New models for coenzyme B12 with a cobalt-to-ligand carbon bridge
  592. CRYSTAL STRUCTURE OF SOLVENT FREE [2-(DIMETHYLAMINOMETHYL)PHENYL]ALUMINIUM DICHLORIDE
  593. Cyclic 1,8-napththalenediyl compounds containing group 14 hetero atoms
  594. Four‐Membered 1,8‐Naphthalenediyl Transition Metallacycles
  595. Acid‐Catalyzed Olefination of Benzaldehyde
  596. Nuclear versus Side-Chain Bromination of Methyl-Substituted Anisoles by N-Bromosuccinimide
  597. Reaction of (1,8-Naphthalenediyl)magnesium with Group 5 and 6 Metallocene Dichlorides. Formation and X-ray Crystal Structure of (.eta.5-Cp)Mo(PMe3)2(.eta.3-6b-H-7,9a-dihydrocyclopent[a]acenaphthylen-7-yl)
  598. Complexation of Bis(p-tert-butylphenyl)magnesium with 1,3-Xylylene Crown Ethers and Glymes
  599. Organomagnesium chemistry: Nearly hundred years but still fascinating
  600. Synthesis of small cyclophanes
  601. Corrigendum
  602. Structural studies on paracyanogen and paraisocyanogen
  603. A stereospecific anionic reduction of gem‐bromohalocyclopropanes by the dimsyl anion
  604. C‐Halophosphaalkenes: Probing the range of stability and reactivity towards bromine
  605. Formation of the first organometallic catenane
  606. Intra-annular reactions of the (1,3-xylylene)-18-crown-5 system: synthesis and crystal structure of [2-(bromomagnesio)-1,3-xylylene]-18-crown-5, [2-(bromomercurio)-1,3-xylylene]-18-crown-5 and bis[(1,3-xylylene-18-crown-5)-2-yl]mercury
  607. Reaction of isocyanogen (CNCN) with hydrogen chloride
  608. Theoretical investigation on base-induced 1,2-eliminations in the model system fluoride ion + fluoroethane. The role of the base as a catalyst
  609. Asymmetric addition of B-[2-(Phenoxymethyl)-2-propenyl]bis(2-isocaranyl)borane to aldehydes and further cyclization to chiral 3-methylenetetrahydrofurans
  610. ChemInform Abstract: Base‐Induced Imine‐Forming 1,2‐Elimination Reactions in the Gas Phase.
  611. One-pot preparation of 3-methylenepyrrolidines with high diastereomeric excess
  612. Synthesis of the Mono(Dewar Benzene) Isomer of [1.1]Metacyclophane
  613. Base-induced imine-forming 1,2-elimination reactions in the gas phase
  614. Mechanism of the unusual ether cleavage of (2-methoxy-1,3-xylylene)-15-crown-4 by organomagnesium reagents
  615. Synthesis of cyclic bifunctional organomagnesium compounds. X-ray crystal structures of tetrameric organomagnesium clusters
  616. Anionic ether cleavage of tetrahydrofuran in the gas phase
  617. Synthesis and Reactivity of 2-Iodophosphinines
  618. Intramolecularly alkylated salen complexes: new models for coenzyme B12 with a cobalt-to-ligand carbon bridge
  619. Synthesis, photochemical behaviour and cis/trans isomerisation of 1-(2,4,6-triisopropylphenyl)-2-(2,4,6-tri-tert-butylphenyl)diphosphene
  620. Intramolecular alkoxycobaltation: a novel route to the cobalt–carbon bond in a coenzyme B12model
  621. A remarkable halogen‐zinc exchange reaction; X‐ray crystal structure of (2‐iodozincio‐1,3‐xylylene)‐15‐crown‐4
  622. Carbenoid routes to substituted phosphaalkenes and phosphabenzenes
  623. 3-methylenetetrahydrofurans and 3-methylenepyrrolidines by addition of 2-(bromozincmethyl)-2-alkenyl ethers or 2-(chloromagnesiomethyl)-2-alkenyl ethers to aldehydes, ketones and imines followed by pd(0)-catalyzed cyclization
  624. Addition of 2-(chloromagnesiomethyl)2-alkenyl ethers to epoxides followed by Pd(0)-catalyzed cyclization: a one-pot synthesis of 3-methylenetetrahydropyrans
  625. Synthesis and structure of phosphaalkenylmercury compounds
  626. Synthesis and x-ray crystal structure of 11-bromo-endo-9-chloro-7-ethoxybicyclo[5.3.1]undec-1(11)-ene. A stable highly strained anti-Bredt olefin
  627. The first x-ray structure of a 1,1-di-Grignard compound: bis(bromomagnesio)bis(trimethylsilyl)methane
  628. Central bond in the three CN.cntdot.dimers NC-CN, CN-CN and CN-NC: electron pair bonding and Pauli repulsion effects
  629. Complexation of diphenylzinc with simple ethers. Crystal structures of the complexes Ph2Zn · glyme and Ph2Zn · diglyme
  630. Synthesis of 2-iodo-4,5-dimethylphosphinine and its conversion to organometallic derivatives
  631. Multi-step processes in gas-phase reactions of halomethyl anions XCH2? (X = Cl,Br) with CH3X and NH3
  632. Unusual metalation and halogen-metal exchange reactions between 1,3-xylyl crown ethers and organomagnesium reagents. X-ray structure of 2-[(p-tert-butylphenyl)magnesio]-1,3-xylylene-18-crown-5. [Erratum to document cited in CA115(21):232313a]
  633. Palladium(0)-catalyzed non-concerted Cope rearrangement
  634. Total synthesis of C19-diterpene alkaloids: Construction of a functionalized ABCD-ring system
  635. Allylmetallation of 1-silylalkynes by 2-(bromozincmethyl)-2-alkenyl ethers followed by Pd(0)-catalyzed cyclization: A one-pot synthesis of 4-methylenecyclopentenes
  636. Intramolecular zinc-ene reactions of alkynes; preparation of 1,5-annulated 4-methylenecyclopentenes
  637. Konjugierte addition von 2-(bromzinkmethyl)-3-phenoxy-1- propen an methylenmalonsäurederivate; weitere umsetzung zu methylencyclopentanen
  638. New Low Coordination Phosphorus Heterocycles
  639. Synthesis and Reactions of P ‐Supermesityl‐ C ‐halophosphaalkenes
  640. Unusual metalation and halogen-metal exchange reactions between 1,3-xylyl crown ethers and organomagnesium reagents. X-ray structure of 2-[(p-tert-butylphenyl)magnesio]-1,3-xylylene-18-crown-5
  641. Interaction of diphenylzinc with 1,3-xylyl crown ethers. Crystal structures of three 1:1 complexes
  642. Unusual reactivity of small cyclophanes: nucleophilic attack on 11-chloro- and 8,11-dichloro[5]metacyclophane [Erratum to document cited in CA113(13):114434b]
  643. Activation of organomagnesium reagents by crown ethers: unusual ether cleavage of (2-methoxy-1,3-xylylene)-15-crown-4
  644. Investigations on doubly nitrogen-15 labeled isocyanogen (CNCN)
  645. The remarkable crystal structure of the dimeric species [bis(ortho-anisyl)magnesium · THF]2
  646. Induction of higher coordination states in phenyl Grignard reagents by intramolecular coordination. Crystal structures of O-CH2(OCH2CH2)*OCH3-substituted phenylmagnesium bromides (n = 0-3)
  647. O-Phenylenemagnesium tetramer: the first organomagnesium cluster
  648. Phosphasilene synthesis and reactivity: an improved route to 1-(2,4,6-tri-tert-butylphenyl)-2-tert-butyl-2- (2,4,6-tri-isopropylphenyl)phosphasilene
  649. Investigations of a highly crowded phosphino‐substituted biphenyl: A precursor for a λ3, λ5‐diphosphaphenanthrene
  650. Dilithium diphenylmethanediide; generation, redox relationship with lithium chlorodiphenylmethanide, implication with regard to aggregation
  651. A new model for coenzyme B12with an intramolecular cobalt–carbon bridge
  652. Isolated excited electronic states in the unimolecular gas-phase ion dissociation processes of the radical cations of isocyanogen and cyanogen
  653. Formation of a distibacyclooctane; X‐ray crystal structure of 1,5‐dichloro‐1,3,3,5,7,7‐hexamethyl‐9‐oxa‐1,5‐distibabicyclo[3.3.1]nonane hydrochloride
  654. Intramolecularly coordinated arylmagnesium compounds: effects on the Schlenk equilibrium
  655. Neutralization‐Reionization Mass Spectrometry and Matrix Isolation of Some 9‐Silaanthracenes
  656. X-Ray Structural Analyses of Organomagnesium Compounds
  657. Reactivity of 8,11-dihalo[5]metacyclophanes
  658. Selective lithiation of 1-bromo-2[(trimethylstannyl)methyl]benzene: synthesis of 1-bromo-2-(lithiomethyl)benzene, 1-lithio-2-[(trimethylstannyl)methyl]benzene, and .alpha.,2-dilithiotoluene
  659. The coordination modes of simple diarylmagnesium species: Some representative X-ray crystal structures
  660. Unusual reactivity of small cyclophanes: nucleophilic attack on 11-chloro- and 8,11-dichloro[5]metacyclophane
  661. Coordinational behavior of solvent-free diorganylzinc compounds: the remarkable x-ray structure of dimeric diphenylzinc
  662. Note on the solvent dependence of the 1H-NMR coordination chemical shifts of tricarbonyl(η6-[8]paracyclophane) chromium. A caveat concerning its interpretation
  663. Cr(CO)5(CNCN), a complex in which the coordinated CN group of isocyanogen binds and vibrates like a CO ligand
  664. Recent Developments in Phosphasilene Chemistry
  665. [4]Paracyclophane: MNDO and STO‐3G molecular structure and strain energy
  666. 2‐alkoxy‐3‐methylenetetrahydrofurans by addition of 2‐(bromozincmethyl)‐3,3‐dialkoxy‐1‐propenes to aldehydes and ketones followed by Pd(0)‐catalyzed cyclization
  667. Flash vacuum thermolysis and mass spectroscopy of 9,10-dihydro-9-silaanthracenes
  668. Model systems for initial stages in oxidative-addition reactions. Theoretical investigation of .eta.1 and .eta.2 coordination of difluorine and dihydrogen to tetrachloroplatinate(2-) and chromium pentacarbonyl
  669. New trends in dimetallic synthons
  670. On the mechanism of formation and fragmentation of [8]paracyclophane in the gas phase
  671. Small cyclophanes: the bent benzene business
  672. Synthesis of β-Hydroxy Esters by Lithium/Ammonia Reduction of α,β-Epoxy Esters
  673. The total synthesis of chlorophyll a
  674. Reaction of photochemically generated dibromocarbene with 1,2-dimethylenecycloalkanes. 1,4-Addition is real
  675. The stereochemistry of the 1,4-addition of dibromocarbene to 1,2-dimethylenecycloheptane
  676. The crystal and molecular structure of polymeric [(dineopentylmagnesium)2 · (neopentylmagnesium bromide)2]n: an unsolvated alkylmagnesium species
  677. Matrix-isolation infrared investigation of the flash vacuum thermolysis of norbornadienone azine
  678. Synthesis of bis(phosphine)-1,2-dihydroplatina(II)cyclobutabenzenes. Molecular structure of the 1,2-dihydroplatina(II)cyclobutabenzene [cyclic] Pt(CH2-o-C6H4)(PMe3)2
  679. Editorial board page for “Synthetic Communications”, Volume 19, Number 7-8
  680. Photochemical synthesis of arenetricarbonylchromium(0) complexes: scope and limitations
  681. He(I) photoelectron spectroscopy of diisocyanogen (CNNC)
  682. [5]Metacyclophane: ab initio STO-3G molecular structure and strain energy
  683. 1,5-annelated 4-methylenecyclopentenes by intramolecular type I zinc-ene reactions followed by Pd(0)-catalyzed cyclization
  684. Addition of 2-(phenoxymethyl)-2-propenylmagnesium chloride to epoxides followed by Pd(0)-catalyzed cyclization: A one-pot synthesis of 3-methylenetetrahydropyrans
  685. Conjugated exocyclic dienes by addition of 2-(benzyloxymethyl)-3-(bromozincmethyl)-1,3-but adiene to aldehydes, ketones and imines followed by Pd(0)-catalyzed cyclization
  686. Preparation and reactivity of bis(bromomagnesio)bis(trimethylsilyl)methane
  687. The intermediate formation of [4]metacyclophane on flash vacuum thermolysis
  688. 1,2‐Dilithioethane from Ethylene and Lithium
  689. The Activation of Phenylmagnesium Compounds by Crown Ethers
  690. Diisocyanogen
  691. X-ray structure of (1,3-xylyl-18-crown-5)diphenylmagnesium: an organometallic rotaxane
  692. Crown ether Grignard reagents; x-ray structure of 2-(bromomagnesio)-1,3-xylyl-15-crown-4
  693. Carbanions as Intermediates in the Synthesis of Grignard Reagents
  694. Synthesis of metallacyclobutanes and metallacyclobutabenzenes of molybdenum and tungsten
  695. 1,2‐Bis(halomagnesio)ethane
  696. 3-Methylenetetrahydrofurans and 3-methylenepyrrolidines by addition of 2-bromozincmethyl-2-propenyl ethers to aldehydes, ketones and imines followed by pd(O)-catalyzed cyclization
  697. Phosphasilenes: synthesis and spectroscopic characterization [Erratum to document cited in CA107(25):236849n]
  698. Bridged valence isomers of benzene and cyclophanes
  699. The formation of 1,3‐di‐Grignard reagents from small‐ring 1,3‐dibromides
  700. The synthesis and some applications of new 1,3-dilithiopropanes: dimethylbis(α-lithiobenzyl)silane and its germanium analogue
  701. Zur herstellung und reaktivität von bis(trimethylsilyl)dilithiomethan
  702. First synthesis of an olefin-coordinated platina(II)cyclobutane and its conversion into diphosphineplatina(II)cyclobutanes
  703. MNDO Calculations on [n]metacyclophanes
  704. Thermal generation and dimerization of [4]metacyclophane
  705. Di‐Grignard Compounds and Metallacycles
  706. Structure of (E)-[(2-isopropylphenyl)(phenyl)methylene](mesityl)phosphine
  707. Phosphasilenes: synthesis and spectroscopic characterization
  708. An investigation of the di-Grignard approach to metallabenzocyclobutenes of group 14
  709. Pentacyclo[4.3.1.01,6.07,908,10]decane. A cyclopropane edge-bridged prismane and its rearrangement to a fulvene
  710. [4]Paracyclophane intercepted
  711. A new approach to 1, 2‐dilithioethane; easy preparation of dilithiomethane
  712. Allylmetalation of 1-silylalkynes by 2-bromozincmethyl-2-propenyl ethers followed by pd(0)-catalyzed cyclization: A one-pot synthesis of 4-methylenecyclopentenes
  713. Attempted synthesis of a [5](2,5)pyridinophan‐6‐one from its Dewar isomer
  714. First Four‐Membered Metallacycles of Rhenium
  715. Flash vacuum thermolysis of dispiro[2.2.n.2]alkadienes
  716. Interconversions of titanocene-methylene complexes
  717. Oxygen and nitrogen heterocycles by intramolecular magnesium- and zinc-ene reactions; Methylenecyclopentanes by Pd(0) - catalyzed isomerization of 5-(bromozincmethyl)-3-methyleneoxacycloalkanes
  718. Zur stabilisierung von [5]paracyclophanen durch substitution am benzolring
  719. The synthesis of four-membered spiro compounds of silicon and germanium: 2,2,6,6-tetramethyl-4-metallaspiro[3.3]heptanes
  720. Influence of steric factors on the coordination mode (.eta.1 or .eta.2) of phosphaalkenes to zerovalent Pt0L2 centers. X-ray structure of bis(triphenylphosphine)[(2,6-dimethylphenyl)-9-fluorenylidenephosphine]platinum(0)-toluene
  721. A new type of organometallic spiro compounds: 2,2,6,6-tetracyclopentadienyl-4-sila-2,6-dititanaspiro[3.3]heptane
  722. Die bildung von titanocen-methylen-komplexen aus 1,3-dititanacyclobutanen
  723. Metallacyclic Four‐Membered Ring Systems: Two Independent Routes to Bis(cyclopentadienyl)titanacyclobutabenzene
  724. Synthese von 1,3-dimetallacyclobutanen mit dem methylen-di-grignardreagens
  725. A 13C NMR investigation of [5]metacyclophanes
  726. Aromaticity of highly bent benzene rings. An investigation by high-field deuterium NMR of [5]metacyclophane and model compounds
  727. Blitzvakuumthermolyse von 1‐Chlor‐4‐methylen‐spiro[2.m]alkanen
  728. 7,8-dimethoxycarbonyl-10,11-dimethyl[5]paracyclophane
  729. Bis(bromomagnesio)trimethylsilylmethane
  730. Di-Grignard reagents and metallacycles
  731. Palladium(II)-catalyzed claisen rearrangement of allyl vinyl ethers
  732. Scope and limitations of the flash vacuum thermolysis approach to small [n]paracyclophanes
  733. Synthesis and silver‐ion‐catalyzed reactions of 3,3′‐ethylenebicyclopropenyl
  734. Total synthesis of c19-diterpene alkaloids: construction of a functionalized bcd-ring system
  735. 1,4‐Addition of Dihalocarbenes to 1,3‐Dienes
  736. Some applications of the methylene di-Grignard reagent for the synthesis of main group IV organometallic compounds
  737. [5]Paracyclophane
  738. The synthesis of hetero-bridged [5](3,6)oxepinophanes
  739. A Convenient Synthesis of 2-Halo-5-chloro-m-xylenes
  740. A comparative investigation of 1,4‐pentamethylene and 1,4‐hexamethylene Dewar benzene: Evidence for the intermediate formation of [5]paracyclophane
  741. A general synthesis of metallacyclobutanes
  742. Flash vacuum thermolysis of spirocyclohexadienones
  743. Synthesis and conformational analysis of halo[n.3.1]propellanes
  744. A convenient synthesis of germacyclobutanes
  745. Intermediates in the reaction of a triarylphosphaethene with sulfur
  746. The .eta.1- and .eta.2-coordination in a (phosphaalkene)platinum(0) complex
  747. 1,1-dicyclopentadienyl-3,3-dimethylvanada(IV)cyclobutane
  748. (2,6‐Dimethylphenyl)(9‐fluorenyliden)phosphan
  749. Molecular Structure of 8,11‐Dichloro[5]metacyclophane: A Strongly Bent Benzene Ring
  750. Biosynthesis of L-2,3-diaminopropanoic acid
  751. 11-t-Butyl-8-chloro[5]metacyclophane
  752. 2,4,6-Tri-tert-butylphenylphosphene-dimesitylsilene; the first phosphasilaalkene
  753. 9-Hydroxy [7]metacyclophane
  754. A versatile method for the synthesis of 1,3-metallatitanacyclobutanes
  755. Synthesis and conformational analysis of 68,11-dihalo[5]metacyclophanes
  756. Synthesis and structure of aryl-substituted phospha-alkenes
  757. [4+2]cycloaddition reactions of triarylphosphaalkene
  758. Complex formation between nickel(0) and a phosphaalkene: Influence of the second ligand on the η1- and η2-coordination mode
  759. Oxidation reactions of phosphaalkenes
  760. First synthesis of stannacyclobutanes
  761. A new stable tricoordinate phosphorus(V) compound: P-2,6-dimethylphenyl-C,C-diphenylselenophosphene
  762. Zircona‐ and Hafnacyclobutenes—A New Route to Metallacyclobutanes
  763. Zircona- und Hafnacyclobutane Ein neuer Weg zu Metallacyclobutanen
  764. β-Substituted cyclopropyl radicals
  765. 8,11-dichloro[5]metacyclophane
  766. Antibiotic A 19009. Structural investigation and synthesis.
  767. Methylenedimagnesium dibromide as precursor of metal carbene complexes; preparation of titanacyclobutanes.
  768. Stable unsymmetrical diphosphenes
  769. Synthesis of 1-phosphaadamantane
  770. The mean bond dissociation energy of the carbonmagnesium bond in bis(2,2‐dimethylpropyl)magnesium
  771. The reaction of a phosphaalkene with orthoquinones
  772. [5]metacyclophanes a spectroscopic and theoretical investigation of structure and conformation
  773. A Convenient Synthesis of Cyclobutanone
  774. 1,3-Dilithiopropanes
  775. Intramolecular coordination between magnesium and oxygen in cyclic organomagnesium compounds
  776. The dimerization of some magnesacycloalkanes and benzomagnesacycloalkenes; the relation between ring size, ring strain and degree of association
  777. The structure of 1,4-bisorganomagnesium compounds in magnesacyclopentane
  778. SN2 substitution with inversion at a cyclopropyl carbon atom: formation of 9-oxatetracyclo[6.2.1.01,6.06,10]undecane
  779. Diels‐Alder Reactions of [5]Metacyclophane
  780. Synthesis and structural investigation of [mesityl(diphenylmethylene)phosphine]bis(triphenylphosphine)platinum(0)
  781. 1,4-Addition of dichlorocarbene to 1,2-bismethylenecycloheptane
  782. A direct synthesis of 1,3-bis(bromomagnesio)propane
  783. A nucleophilic reaction of a phosphaalkene: the methylation of mesityldiphenylmethylenephosphine
  784. Biosynthesis of malonomicin-II proton and deuteron NMR spectra
  785. Biosynthesis of malonomicin-III advanced precursor studies using 2H nuclear magnetic resonance spectroscopy
  786. Diels-Alder-Reaktionen von [5]Metacyclophan
  787. Synthesis and structure of 6‐exo‐hydroxy‐1,2‐diphenyl‐1‐phosphoniatricyclo [3.3.1.1]decane iodide, a derivative of 1‐phosphaadamantane
  788. The synthesis and structure of zinccacyclopentane, zincacyclohexane and zincacycloheptane
  789. Synthesis and structure of pentacarbonyl(mesityldiphenylmethylenephosphine)-chromium(0)
  790. 1,2-dimagnesium derivatives of cyclopropane
  791. Studies on the formation of [5]metacyclophane
  792. The synthesis of cis- and trans-1,2-dibromocyclopropane
  793. Dynamic stereochemistry of 10-substituted 9-mesityl-9,10-dihydro-9-boraanthracene compounds
  794. Mesityl(diphenylmethylene)arsane
  795. Biosynthesis of malonomicin. Part 1. 13C nuclear magnetic resonance spectrum and feeding experiments with 13C-labelled precursors
  796. 3‐Methyl‐2‐chloro‐2‐hydroxy‐2‐phosphanaphthalene. A stable p‐hydroxy‐λ5‐phosphorin
  797. A Convenient Direct Method for the Preparation of β-Keto-Acids
  798. Attempted syntheses of 9‐stibaanthracene and 10‐phenyl‐9‐stibaanthracene
  799. On the formation of the so-called arsanthrene
  800. The chemical shift of EtMgBr and Et2Mg as a qualitative measure of the basicity of electron-donating solvents
  801. Synthesis of mesityldiphenylmethylenephosphine: a stable compound with a localized phosphorus:carbon bond
  802. Zum Mechanismus der pyrolytischen Bildung von 10‐Aryl‐9‐arsaanthracenen
  803. The electronic structure of chichibabin's hydrocarbon
  804. A convenient and general synthesis of 1,2‐dimethylenecycloalkanes
  805. Compounds containing localized carbdn—phosphorus double bonds I. Diels-Alder reaction of 3-methyl-2-phosphanaphthalene with hexafluorobutyne-2.
  806. Synthesis and properties of 6-acetoxy-1,4-dithiocin
  807. The constitution of the Grignard reagent
  808. The formation of grignard compounds—V
  809. The reaction of Grignard reagents with 1,3-dioxolanes
  810. The reaction of Grignard reagents with 1,3-dioxolanes
  811. The total synthesis of the antibiotic malonomicin (k16)
  812. Interconversion of [6]paracyclophane and 1,4-hexamethylene(Dewar benzene)
  813. Bifunctional and cyclic organomagnesium compounds
  814. A novel synthesis of 10‐aryl‐9‐arsaanthracenes
  815. A novel synthesis of short‐bridged [m]paracyclophanes: Preliminary communication
  816. Bridged Ring Compounds by Malonic Ester Synthesis
  817. Stibatriptycene
  818. Synthetic studies related to 1,4-dithiocin
  819. [5]Metacyclophane
  820. On the origin of chemically induced dynamic nuclear polarization [CIDNP] observed during the Grignard formation reaction
  821. 9-Phenyl-9-benzyl-9-phosphaanthracene, a tricyclic λ5-phosphorin
  822. Synthesis and application of precursors of hetero-anthracenes
  823. Thermal and electron-impact induced 1,4 aryl migration from phosphorus to carbon
  824. Mass spectral fragmentation of some phosphaaromatic compounds
  825. 1,4-trimethylene(Dewar benzene)
  826. 10-Heterosubstituted arsaanthracenes
  827. 10-methyl-9-phosphaanthracene
  828. 2-Phosphanaphthalenes
  829. An investigation of the structure of the so-called phenarsazine
  830. Anion formation versus nitrile ⇆ ketenimine tautomerism in alkylidene malononitriles and cyanoacetates
  831. Cope rearrangement of a bicyclopropenyl
  832. Model experiments on the construction of the ABE ring system of hetisine type diterpene alkaloids
  833. On the nature of the “free electron pair” on phosphorus in aromatic phosphorus compounds: The photoelectron spectrum of 2-phosphanaphthalene
  834. Synthesis and thermolysis of 1,4-pentamethylene(Dewar benzene)
  835. The formation of Grignard compounds - IV Direct proof for the formation of RMgX as primary product in the reaction of organic halides with magnesium
  836. The formation of grignard compounds—III
  837. The silver(I) catalyzed rearrangement of bicyclopropenyls evidence for a stepwise mechanism
  838. The reaction of grignard reagents with 1,3-dioxolanes. Influence of solvation; kinetics and mechanism
  839. Reactions of the 9-mesityl-9-boraanthracene anion
  840. The structure of the grignard reagent
  841. Equilibrium CH-acidity in cyclohexylamine: the aromatic 9-mesityl-9-boraanthracene anion
  842. Free Radicals in Grignard Reactions
  843. 1,4‐Dithiocin‐6‐yl Acetate
  844. The Equilibrium Acidity of A 9,10-Dihydrosilaanthracene on the Degree of Aromaticity of a System with Tetracoordinate Silicon
  845. Phosphatriptycene
  846. Synthesis and valence isomerizations of 1,1′-tetramethylenebicyclopropenyl
  847. The electronic structure of a λ3‐phosphaphenanthrene; a direct indication of the similarity of electronic effects produced by sp2 hybridized carbon and phosphorus atoms (Preliminary communication)
  848. The knoevenagel reaction of malononitrile with some cyclic β-keto-esters—II
  849. The radical anion of 2-phosphanaphthalene
  850. The constitution of the grignard reagent
  851. Bicyclo[2,2,2]oct-1-ene; formation from 1-ethoxybicyclo[2,2,2]oct-2-yl-lithium and reaction with t-butyl-lithium
  852. 3-Methyl-2-Ethyl-2-Phosphanaphthalene
  853. Nucleophilic substitution of aromatic bromine in 2‐bromobenzophenone by Grignard reagents
  854. Synthesis of 5-and 6-membered carbon-boron heterocycles by pyrolysis of pyridine-arylboranes
  855. The formation of Grignard compounds—II
  856. Arsatriptycen
  857. Bifunktionelle und cyclische Organomagnesiumverbindungen, II1) 1‐Oxa‐5‐magnesiacyclooctan
  858. Photoelectron Spectroscopy and Conjugation—Direct Proof of the Unusual Sequence of the Two Highest Occupied π‐Molecular Orbitals in the Phosphorin (Phosphabenzene) and the Arsenin (Arsabenzene) System
  859. Synthesis of the 9-mesityl-10-phenyl-9-boraanthracene anion
  860. The constitution of the grignard reagent
  861. CIDNP evidence for a radical pathway in the formation of Grignard reagents
  862. The silver ion promoted valence isomerization of 1,1′-dimethylbicyclopropenyl.
  863. The structure of the antibiotic K16. I. The dipeptide side chain.
  864. The structure of the antibiotic K16. II. Chromophore and total structure.
  865. The 9-mesityl-9-boraanthracene anion
  866. Addition of alkyl-lithium reagents to alkenylamines and to an alkenyl sulphide
  867. Bromo-1-ethoxy-7-norbornylmagnesium a stable alicyclic β-alkoxy-substituted grignard compound
  868. Preparation and Hofmann degradation of 1,1′‐dimethyl‐2,2′‐bis(trimethylammonio)‐bicyclopropyl dihydroxide
  869. The synthesis of 1,1′‐dimethylbicyclopropenyl: (Short Communication)
  870. Attempted synthesis of dibenzo[b,e]borin (9-boraanthracene) and its formation under electron impact
  871. Radical formation during reactions of Grignard reagents with quinones
  872. The Knoevenagel condensation of malononitrile with some cyclic β-keto-esters. A correction
  873. 10-Phenyldibenz[b,e]arsenin
  874. Arsanthren (9,10-diarsaanthracen)
  875. Dibenz[b,e]arsenine (9‐Arsaanthracene)
  876. Bifunctional and cyclic organomagnesium compounds
  877. Addition of isopropyllithium to unconjugated double bonds of alkenyl ethers :(Preliminary Communication)
  878. Solvolysis of endo‐bicyclo[3.2.1]octa‐2,6‐dien‐8‐yl derivatives
  879. The formation of derivatives of sila‐anthracene on electron impact: (Preliminary communication)
  880. The preparation of unracemized optically active 2‐butoxy derivatives: (Short communication)
  881. The synthesis of substituted bicyclo[3.2.1]octa‐2,6‐dienes
  882. The Constitution of the grignard reagent VI. The degree of association of ethylmagnesium compounds in 1-ethoxy-2-methylbutane
  883. 10‐Phenyldibenzo[b,e]phosphorin
  884. Dibenzo[b,d]phosphorin
  885. Completely enolized carboxylic esters and acids from the knoevenagel condensation of malononitrile with some cyclic β-keto-esters
  886. 1,5-Hydrogen migrations in cyclopentenes
  887. Preparation and some properties of trimethylaminemethylenetriphenylborane
  888. Die Chemie der in 7‐Stellung substituierten Norbornadiene; eine Untersuchung des sterischen Verlaufs einiger Additions‐Reaktionen ungesättigter Bicyclo[2.2.1]heptanderivate und über den Gültigkeitsbereich der Alderschen exo‐Regel
  889. Dibenzo[b,e]phosphorin
  890. The Reaction of 4,4‐dimethyl‐1‐phenylisochroman with hydriodic acid and phosphorus
  891. Tbe chemistry of 7-substituted norbornadienes; 7-cyanonobornadiene and 7-carboxynorbornadiene
  892. The optical activity of ethers solvating Grignard compounds.
  893. Beiträge zur Entwicklung psychotroper Stoffe, VI. Basisch substituierte Dibenzo[b.e]thiocin‐Derivate
  894. Beitr�ge zur Entwicklung psychotroper Stoffe, 5. Mitt.
  895. Erratum
  896. New Heterocyclic Ring Systems
  897. Beitr�ge zur Entwicklung psychotroper Stoffe, 4. Mitt.: Diphenylamin-Derivate mit piperidylsubstituierten Seitenketten
  898. Beitr�ge zur Entwicklung psychotroperStoffe, 2. Mitt.: Basisch substituierte Dibenzo-oxepin-, Dibenzo-thiepin- und Dibenzo-cycloocten-Derivate
  899. THE TOTAL SYNTHESIS OF CHLOROPHYLL
  900. The structure of delphinine
  901. The structure of neoline
  902. Rigorous proof of an allylic rearrangement in the pyro-isopyro change in delphinine
  903. The structure of delphinine
  904. Zur Komplexstabilisierung alkalimetall‐organischer Verbindungen in Äther, II
  905. o‐Dilithium‐benzol
  906. THE STRUCTURE OF CHAKSINE, A MONOTERPENE ALKALOID
  907. The structure and substitution of the C-D ring system of delphinine
  908. Substituent Effects on Hydrogen Bonds in DNA
  909. Structure and bonding of methyl alkali metal molecules