All Stories

  1. One‐Pot Synthesis of Metastable 2,5‐Dihydrooxepines through Retro‐Claisen Rearrangements: Method and Applications
  2. Structure of Electronically Reduced N-Donor Bidentate Ligands and Their Heteroleptic Four-Coordinate Zinc Complexes: A Survey of Density Functional Theory Results
  3. A Self-Assembling Ligand Switch That Involves Hydroxide Addition to an sp2 Hybridised Phosphorus Atom - A System Allowing OH- Mediated Uptake of [MCl2 ] (M = Pd, Pt) Centres
  4. Structure of Electronically Reduced N-Donor Bidentate Ligands and Their Heteroleptic Four-Coordinate Zinc Complexes: A Survey of DFT Results
  5. Multifaceted Study on a Cytochalasin Scaffold: Lessons on Reactivity, Multidentate Catalysis, and Anticancer Properties
  6. Iron and Cobalt Metallotropism in Remote-Substituted NHC Ligands: Metalation to Abnormal NHC Complexes or NHC Ring Opening
  7. Iron and Cobalt Metallotropism in Remote-Substituted NHC Ligands: Metalation to Abnormal NHC Complexes or NHC Ring Opening
  8. Revised Theoretical Model on Enantiocontrol in Phosphoric Acid Catalyzed H-Transfer Hydrogenation of Quinoline
  9. Quantum-Chemical Modeling of the First Steps of the Strecker Synthesis: From the Gas-Phase to Water Solvation
  10. Csp2–Csp2 and Csp2–N Bond Formation in a One-Pot Reaction between N-Tosylhydrazones and Bromonitrobenzenes: An Unexpected Cyclization to Substituted Indole Derivatives
  11. Frontispiece: Improved Infrared Spectra Prediction by DFT from a New Experimental Database
  12. Improved Infrared Spectra Prediction by DFT from a New Experimental Database
  13. Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state
  14. Preparation, Structural Analysis, and Reactivity Studies of Phosphenium Dications
  15. Direct synthesis of doubly deprotonated, dearomatised lutidine PNP Cr and Zr pincer complexes based on isolated K and Li ligand transfer reagents
  16. H-atom loss and migration in hydrogen-rich peptide cation radicals: The role of chemical environment
  17. Microhydration of Protonated Nα-Acetylhistidine: A Theoretical Approach
  18. Building a Lewis Acidic Phosphorus
  19. Estimating π binding energy of N-Heterocyclic carbenes: The role of polarization
  20. Unprecedented directed lateral lithiations of tertiary carbons on NHC platforms
  21. Combining gas phase electron capture and IRMPD action spectroscopy to probe the electronic structure of a metastable reduced organometallic complex containing a non-innocent ligand
  22. Copper-Catalyzed Coupling ofN-Tosylhydrazones with Amines: Synthesis of Fluorene Derivatives
  23. Vibrational Signatures ofS-Nitrosoglutathione as Gaseous, Protonated Species
  24. Planar Chiral Phosphoric Acids with Biphenylene-Tethered Paracyclophane Scaffolds: Synthesis, Characterization, and Catalytic Screening
  25. Benchmarking DFT and TD-DFT Functionals for the Ground and Excited States of Hydrogen-Rich Peptide Radicals
  26. Pincer versus pseudopincer: isomerism in palladium(ii) complexes bearing κ3C,S,C ligands
  27. Development of Chiral Phosphoric Acids based on Ferrocene‐Bridged Paracyclophane Frameworks
  28. Noncovalent Chalcogen Bonds and Disulfide Conformational Change in the Cystamine‐Based Hybrid Perovskite [H3N(CH2)2SS(CH2)2NH3]PbIII4
  29. Gold versus Palladium: A Regioselective Cycloisomerization of Aromatic Enynes
  30. Electronic Structure Trends in N‐Heterocyclic Carbenes (NHCs) with Varying Number of Nitrogen Atoms and NHCTransition‐Metal Bond Properties
  31. Csp2–N Bond Formation via Ligand-Free Pd-Catalyzed Oxidative Coupling Reaction of N-Tosylhydrazones and Indole Derivatives
  32. A PdII Complex Bearing a Benzimidazole‐Derived Ligand with Potentially “Mesoionic and Remote” Character and Its Catalytic Activity
  33. Electronic Structural Trends in Divalent Carbon Compounds
  34. Guiding the synthesis of pentazole derivatives and their mono- and di-oxides with quantum modeling
  35. Stepwise syntheses of tri- and tetraphosphaporphyrinogens
  36. Dissociation Channel Dependence on Peptide Size Observed in Electron Capture Dissociation of Tryptic Peptides
  37. Ground Electronic State of Peptide Cation Radicals: A Delocalized Unpaired Electron?
  38. Comparison of Microhydration Methods: Protonated Glycine as a Working Example
  39. An Easy, Stereoselective Synthesis of Hexahydroisoindol‐4‐ones under Phosphine Catalysis
  40. Acid–base thermochemistry of gaseous oxygen and sulfur substituted amino acids (Ser, Thr, Cys, Met)
  41. Comparison between α- and β-carbonic anhydrases: can Zn(His)3(H2O) and Zn(His)(Cys)2(H2O) sites lead to equivalent enzymes?
  42. Reactivity of polynuclear zinc‐thiolate sites
  43. Thermodynamic Stability Versus Kinetic Lability of ZnS4 Core
  44. ChemInform Abstract: Bend the Coin Your Way: Ligand Design and Main Group Element Chemistry.
  45. Expanding the Scope of Enantioselective FerroPHANE‐Promoted [3+2] Annulations with α,β‐Unsaturated Ketones
  46. Nucleophilicity of zinc-bound thiolates
  47. Metal-histidine-glutamate as a regulator of enzymatic cycles: a case study of carbonic anhydrase
  48. Platinum(II) Complexes Featuring Chiral Diphosphines and N-Heterocyclic Carbene Ligands: Synthesis and Evaluation as Cycloisomerization Catalysts
  49. Structure of Electron-Capture Dissociation Fragments from Charge-Tagged Peptides Probed by Tunable Infrared Multiple Photon Dissociation
  50. The Alkylation Mechanism of Zinc-Bound Thiolates Depends upon the Zinc Ligands
  51. Electron capture in charge-tagged peptides. Evidence for the role of excited electronic states
  52. A comparative study of semiempirical, ab initio, and DFT methods in evaluating metal–ligand bond strength, proton affinity, and interactions between first and second shell ligands in Zn‐biomimetic complexes
  53. A Stable Aminyl Radical Metal Complex
  54. New perspectives for olefin complexes: Synthesis and characterisation of stable rhodium(0) and iridium(0) complexes
  55. Dibenzophosphasemibullvalen
  56. Dibenzophosphasemibullvalene
  57. TROPDAD: A New Ligand for the Synthesis of Water‐Stable Paramagnetic [16+1]‐Electron Rhodium and Iridium Complexes
  58. Binding of Specialty Phosphines to Metals:  Synthesis, Structure, and Solution Calorimetry of the Phosphirane Complex [PtMe2(iPrBABAR-Phos)2]
  59. Electronegativity Versus Lone Pair Shape:  A Comparative Study of Phosphaferrocenes and Azaferrocenes
  60. A 1,1’-ferrocenylene-bridged analogue of BIPNOR
  61. Substituent effects in polarized phosphaalkenes: a theoretical study of aminocarbene–phosphinidene adducts
  62. De-aromatizing Phosphole
  63. Coordinated olefins, H2CCHR, and phosphanes, PH2R: a theoretical study of the R substituent effect
  64. Theoretical study of the bonding between aminocarbene and main group elements
  65. Synthesis and X-ray Crystal Structure Analysis of a Cp-Substituted Phosphaferrocene
  66. A DFT/Electron Localization Function (ELF) Study of the Bonding of Phosphinidenes with N-Heterocyclic Carbenes
  67. The CH by N Replacement Effects on the Aromaticity and Reactivity of Phosphinines
  68. Theoretical study of electrophilic versus nucleophilic character of transition metal complexes of phosphinidene
  69. Some difficulties encountered with AM1 and PM3 calculations