Towards an order- N DFT method

• How Solvation Influences the S N 2 versus E2 Competition

  2021 The Journal of Organic Chemistry article Chemistry Chemical Reaction Mechanisms Open access

  49

  citations
• SARS-CoV spike proteins can compete for electrolytes in physiological fluids according to structure-based quantum-chemical calculations

  2021 Computational and Theoretical Chemistry article Medicine SARS-CoV-2 and COVID-19 Research Open access

  1

  citations
• How Lewis Acids Catalyze Ring-Openings of Cyclohexene Oxide

  2021 The Journal of Organic Chemistry article Chemistry Chemical Reaction Mechanisms Open access

  52

  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
• Lack of Cooperativity in the Triangular X3 Halogen-Bonded Synthon?

  2020 Crystal Growth & Design article Chemistry Crystallography and molecular interactions Open access

  18

  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
• Tuning the Binding Strength of Even and Uneven Hydrogen-Bonded Arrays with Remote Substituents

  2020 The Journal of Physical Chemistry A article Chemistry Crystallography and molecular interactions Open access

  16

  citations
• A Push–Pull Mechanism Helps Design Highly Competent G-Quadruplex-DNA Catalysts

  2020 CCS Chemistry article Biochemistry, Genetics and Molecular Biology DNA and Nucleic Acid Chemistry Open access

  13

  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
• Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design

  2020 Journal of Chemical Information and Modeling article Chemistry Crystallography and molecular interactions Open access

  58

  citations
• Understanding alkali metal cation affinities of multi-layer guanine quadruplex DNA

  2020 Physical Chemistry Chemical Physics article Biochemistry, Genetics and Molecular Biology DNA and Nucleic Acid Chemistry Open access

  28

  citations

11 results