Atoms in molecules

• The Many-Electron Perspective on Local Spins and their Implication for Chemical Bonding

  2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies

  0

  citations
• Questioning the Central Bond in [1.1.1]Propellane: Insights from Probability Density Analysis

  2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access

  4

  citations
• Orbital-based bonding analysis in solids

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

  28

  citations
• Probing Noncovalent Interactions by Fast Magic‐Angle Spinning NMR at 100 kHz and More

  2024 ChemPhysChem article Chemistry Advanced NMR Techniques and Applications Open access

  14

  citations
• A tetrahedral neptunium(V) complex

  2024 Nature Chemistry article Chemistry Radioactive element chemistry and processing

  21

  citations
• Revisiting the Nature of Chemical Bonding in Chalcogenides to Explain and Design their Properties

  2022 Advanced Materials article Materials Science Phase-change materials and chalcogenides Open access cited by 1 patent

  161

  citations
• Classification of properties and their relation to chemical bonding: Essential steps toward the inverse design of functional materials

  2022 Science Advances article Materials Science Machine Learning in Materials Science Open access

  56

  citations
• Partially Ordered Lanthanide Carboxylates with a Highly Adaptable 1D Polymeric Structure

  2022 Polymers article Materials Science Lanthanide and Transition Metal Complexes Open access

  8

  citations
• Halide Perovskites: Advanced Photovoltaic Materials Empowered by a Unique Bonding Mechanism

  2021 Advanced Functional Materials article Engineering Perovskite Materials and Applications Open access

  118

  citations
• Metavalent Bonding in Crystalline Solids: How Does It Collapse?

  2021 Advanced Materials article Materials Science Phase-change materials and chalcogenides Open access cited by 1 patent

  149

  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
• A simple method to calculate solution-phase free energies of charged species in computational electrocatalysis

  2021 Journal of Physics Condensed Matter article Energy Electrocatalysts for Energy Conversion Open access

  16

  citations
• Chalcogenides by Design: Functionality through Metavalent Bonding and Confinement

  2020 Advanced Materials article Materials Science Phase-change materials and chalcogenides Open access

  316

  citations

13 results