Left-right correlation energy

• Rational Tuning of the Reactivity of Three‐Membered Heterocycle Ring Openings via SN2 Reactions

  2022 Chemistry - A European Journal article Chemistry Chemical Reaction Mechanisms Open access

  16

  citations
• SN2 versus SN2′ Competition

  2022 The Journal of Organic Chemistry article Chemistry Chemical Reaction Mechanisms Open access

  29

  citations
• Accurate predictions of the electronic excited states of BODIPY based dye sensitizers using spin-component-scaled double-hybrid functionals: a TD-DFT benchmark study

  2022 RSC Advances article Physics and Astronomy Advanced Chemical Physics Studies Open access

  40

  citations
• 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
• Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN‐xTB and density functional theory

  2021 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access

  21

  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
• 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
• Performance of TDDFT Vertical Excitation Energies of Core‐Substituted Naphthalene Diimides

  2020 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access

  34

  citations

9 results