Orbital interactions in chemistry

• Orbital-based bonding analysis in solids

  2025 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access

  28

  citations
• Differences and similarities in the chemical bonding of intermetallic phases in the Ca–Al–Pt system

  2025 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access

  3

  citations
• Bonding Analyses in the Broad Realm of Intermetallics: Understanding the Role of Chemical Bonding in the Design of Novel Materials

  2024 Chemistry of Materials article Engineering Intermetallics and Advanced Alloy Properties

  33

  citations
• Fragment Orbitals Extracted from First-Principles Plane-Wave Calculations

  2024 Inorganic Chemistry article Physics and Astronomy Advanced Chemical Physics Studies

  37

  citations
• Analysis of Charge Distributions in Functional Transition-Metal Tellurides

  2023 Topics in Catalysis article Physics and Astronomy Advanced Chemical Physics Studies Open access

  1

  citations
• How the Chalcogen Atom Size Dictates the Hydrogen‐Bond Donor Capability of Carboxamides, Thioamides, and Selenoamides

  2022 Chemistry - A European Journal article Chemistry Crystallography and molecular interactions Open access

  35

  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
• Crystal Orbital Bond Index: Covalent Bond Orders in Solids

  2021 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

  392

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

  2021 ChemPlusChem article Chemistry Crystallography and molecular interactions Open access

  17

  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
• 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
• 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
• SnCN2: A Carbodiimide with an Innovative Approach for Energy Storage Systems and Phosphors in Modern LED Technology

  2020 ChemElectroChem article Chemistry Inorganic Chemistry and Materials Open access

  16

  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

17 results