Recent developments in libxc — A comprehensive library of functionals for density functional theory

• A many-electron perspective on aromaticity: investigating delocalization using probability density analysis

  2026 Physical Chemistry Chemical Physics article Chemistry Synthesis and Properties of Aromatic Compounds Open access

  0

  citations
• (E)-Selective Defluorinative Diphenothiazination of Trifluoromethyl Styrenes

  2025 Synthesis article Pharmacology, Toxicology and Pharmaceutics Fluorine in Organic Chemistry

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  citations
• π‐Electron Donation at the Sulfoximidoyl Nitrogen Atom

  2025 Angewandte Chemie International Edition article Chemistry Synthesis and Catalytic Reactions Open access

  2

  citations
• π‐Electron Donation at the Sulfoximidoyl Nitrogen Atom

  2025 Angewandte Chemie article Chemistry Synthesis and Catalytic Reactions Open access

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  citations
• Mechanistic Promiscuity in Cobalt‐Mediated CO 2 Reduction Reaction: One‐ Versus Two‐Electron Reduction Process

  2025 Angewandte Chemie International Edition article Energy CO2 Reduction Techniques and Catalysts Open access

  6

  citations
• Mechanistische Promiskuität bei der Cobalt‐vermittelten CO₂‐Reduktionsreaktion: Ein‐ Versus Zwei‐Elektron‐Reduktionsprozess

  2025 Angewandte Chemie article Energy CO2 Reduction Techniques and Catalysts Open access

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  citations
• Toward Unraveling Cyanopolyyne Surface Chemistry: A Preview on Isolated Systems from HC 3 N to Ethyl Cyanide and Propylamine

  2025 ACS Earth and Space Chemistry article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  5

  citations
• Probability Density Analysis Reveals Substantial Differences Between the Dinitrogen and Acetylene Triple Bonds

  2025 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access

  3

  citations
• Identifying a real space measure of charge-shift bonding with probability density analysis

  2024 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access

  5

  citations
• Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR *

  2023 Electronic Structure article Physics and Astronomy Advanced Chemical Physics Studies Open access

  9

  citations
• Orthorhombic Symmetry and Anisotropic Properties of Rutile TiO 2

  2023 The Journal of Physical Chemistry C article Energy TiO2 Photocatalysis and Solar Cells Open access

  22

  citations
• A robust and efficient line search for self-consistent field iterations

  2022 Journal of Computational Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  7

  citations
• Designing new SRP density functionals including non-local vdW-DF2 correlation for H 2 + Cu(111) and their transferability to H 2 + Ag(111), Au(111) and Pt(111)

  2020 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  18

  citations

13 results