r2SCAN-3c: A “Swiss army knife” composite electronic-structure method

• Hexacoordinate Actinide(IV) Compounds: Benchmark Complexes for Magnetism and Electronic Structure Analysis

  2026 Journal of the American Chemical Society article Chemistry Radioactive element chemistry and processing Open access

  0

  citations
• Controlling the Guanidinium Cation Rotation by Cation–π Interactions

  2026 Angewandte Chemie International Edition article Chemistry Supramolecular Chemistry and Complexes Open access

  2

  citations
• Steuerung der Rotation eines Guanidiniumkations durch Kation‐π‐Wechselwirkungen

  2026 Angewandte Chemie article Chemistry Supramolecular Chemistry and Complexes Open access

  0

  citations
• An Integrated Engineering Approach to Intensify the Biocatalytic Metaraminol Synthesis

  2026 ChemSusChem article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access

  0

  citations
• Bond Dissociation Energies, Proton, Hydride, Electron Affinities, and Ionization Potentials of C1 Hydrocarbon Ions

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

  0

  citations
• An Automated Intermolecular Reaction Discovery Approach Relying on Heuristic Atom-Partitioned Frontier Orbital Features

  2025 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access

  4

  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

  0

  citations
• One‐Step Synthesis of Donor‐Substituted Symmetric and Unsymmetric Trityl Cations from Arenes and Benzoic Acids

  2025 European Journal of Inorganic Chemistry article Chemistry Organic and Inorganic Chemical Reactions Open access

  1

  citations
• Tensor Train Optimization for Conformational Sampling of Organic Molecules

  2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  9

  citations
• Meta‐Dimethylation of Arenes via Catellani Reaction from Aryl Thianthrenium Salts

  2024 Angewandte Chemie International Edition article Chemistry Sulfur-Based Synthesis Techniques Open access

  25

  citations
• Meta‐Dimethylation of Arenes via Catellani Reaction from Aryl Thianthrenium Salts

  2024 Angewandte Chemie article Chemistry Sulfur-Based Synthesis Techniques Open access

  1

  citations
• Catalytic Upgrading of Acetaldehyde to Acetoin Using a Supported N‐Heterocyclic Carbene Catalyst

  2024 ChemSusChem article Chemistry N-Heterocyclic Carbenes in Organic and Inorganic Chemistry Open access

  2

  citations
• CREST—A program for the exploration of low-energy molecular chemical space

  2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents

  573

  citations
• Combining low-cost electronic structure theory and low-cost parallel computing architecture

  2024 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  7

  citations
• Probing a Hydrogen‐π Interaction Involving a Trapped Water Molecule in the Solid State

  2023 Angewandte Chemie International Edition article Chemistry Advanced NMR Techniques and Applications Open access

  29

  citations
• Untersuchung einer Wasserstoff‐π Wechselwirkung in einem eingeschlossenen Wassermolekül im Festkörper

  2023 Angewandte Chemie article Chemistry Advanced NMR Techniques and Applications Open access

  0

  citations
• Towards understanding solvation effects on the conformational entropy of non-rigid molecules

  2022 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies

  34

  citations

18 results