Atoms in molecules : a quantum theory

• An experimental and theoretical study on the molecular interactions of N-aromatic L-proline in the condensed phase

  2024 Journal of Molecular Structure article Chemistry Crystallography and molecular interactions

  4

  citations
• Non-Covalent Forces in Naphthazarin—Cooperativity or Competition in the Light of Theoretical Approaches

  2021 International Journal of Molecular Sciences article Chemistry Crystallography and molecular interactions Open access

  9

  citations
• First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries

  2021 preprint Engineering Advancements in Battery Materials Open access

  0

  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
• Effect of Alkali Metal Cations on Length and Strength of Hydrogen Bonds in DNA Base Pairs

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

  25

  citations
• LOBSTER: Local Orbital Projections, Atomic Charges, and Chemical Bonding Analysis from Projector-Augmented-Wave-Based DFT

  2020 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

  2

  citations

6 results