A post-Hartree–Fock model of intermolecular interactions

• Direct formation of MXene domains and compositional defects in magnetron sputtered V 2 AlC-AlO x heterostructures revealed by theory and experiments

  2025 Journal of Materials Chemistry A article Materials Science MXene and MAX Phase Materials Open access

  7

  citations
• pH-Controlled Synthesis of Mercury Cyanamides/Carbodiimides and Piezocatalytic Studies of the Noncentrosymmetric Ones

  2024 ACS Applied Materials & Interfaces article Materials Science Crystal Structures and Properties

  1

  citations
• Chemical Reactions and Phase Stabilities in the Si–Te System at High Pressures and High Temperatures

  2022 Inorganic Chemistry article Earth and Planetary Sciences High-pressure geophysics and materials

  2

  citations
• Polycyclic Aromatic Hydrocarbons (PAHs) in Interstellar Ices: A Computational Study into How the Ice Matrix Influences the Ionic State of PAH Photoproducts

  2022 ACS Earth and Space Chemistry article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  17

  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
• 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
• Cooperative Self‐Assembly in Linear Chains Based on Halogen Bonds

  2021 ChemPlusChem article Chemistry Crystallography and molecular interactions Open access

  17

  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
• Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid

  2020 CrystEngComm article Chemistry Crystallography and molecular interactions

  11

  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
• 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
• 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