Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts

• Understanding the Conformational Preference of Propeller-shaped Polycyclic Aromatic Hydrocarbons

  2021 ChemRxiv preprint Chemistry Synthesis and Properties of Aromatic Compounds Open access

  1

  citations
• σ‐Electrons Responsible for Cooperativity and Ring Equalization in Hydrogen‐Bonded Supramolecular Polymers

  2021 ChemPlusChem article Chemistry Crystallography and molecular interactions Open access

  14

  citations
• Boron Tunneling in the “Weak” Bond‐Stretch Isomerization of N−B Lewis Adducts

  2021 ChemPhysChem article Chemistry Organoboron and organosilicon chemistry Open access

  6

  citations
• The Gauche Effect in XCH2CH2X Revisited

  2021 ChemPhysChem article Physics and Astronomy Advanced Chemical Physics Studies Open access

  39

  citations
• Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length

  2021 Chemistry - A European Journal article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 1 patent

  34

  citations
• Dipolar repulsion in α-halocarbonyl compounds revisited

  2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  7

  citations
• Nature of Alkali‐ and Coinage‐Metal Bonds versus Hydrogen Bonds

  2020 Chemistry - An Asian Journal article Chemistry Crystallography and molecular interactions Open access

  9

  citations
• SN2 versus E2 Competition of F– and PH2– Revisited

  2020 The Journal of Organic Chemistry article Chemistry Chemical Reaction Mechanisms Open access

  32

  citations
• Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides

  2020 Chemistry - An Asian Journal article Chemistry Organoboron and organosilicon chemistry Open access

  56

  citations
• A Unified Framework for Understanding Nucleophilicity and Protophilicity in the SN2/E2 Competition

  2020 Chemistry - A European Journal article Chemistry Chemical Reaction Mechanisms Open access

  58

  citations
• Regioselectivity of Epoxide Ring‐Openings via S N 2 Reactions Under Basic and Acidic Conditions

  2020 European Journal of Organic Chemistry article Chemistry Chemical Reaction Mechanisms Open access cited by 2 patents

  81

  citations
• Understanding chemical reactivity using the activation strain model

  2020 Nature Protocols article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 1 patent

  329

  citations

12 results