Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation

• Gauging the double Lewis acidity of dicationic molecules with oxide and fluoride ion affinities

  2026 Cell Reports Physical Science article Chemistry Chemical Reaction Mechanisms Open access

  0

  citations
• ChemRefine: An Open-Source Automated and Interoperable Platform for Machine Learning and Quantum Chemistry Simulations

  2026 Journal of Chemical Theory and Computation article Materials Science Machine Learning in Materials Science Open access

  4

  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
• Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding

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

  24

  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
• Hard and soft electrons and holes

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

  18

  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
• A novel antifolate suppresses growth of FPGS-deficient cells and overcomes methotrexate resistance

  2023 Life Science Alliance article Medicine Folate and B Vitamins Research Open access

  6

  citations
• Tributyl(1-((dimethylamino)(dimethyliminio)methyl)-1,4-dihydropyridin-4-yl)phosphonium Ditrifluoromethanesulfonate

  2023 Molbank article Chemistry Chemical Reaction Mechanisms Open access

  6

  citations
• Diiminium Nucleophile Adducts Are Stable and Convenient Strong Lewis Acids**

  2023 Chemistry - A European Journal article Chemistry Organic and Inorganic Chemical Reactions Open access

  12

  citations
• A novel antifolate suppresses growth of FPGS-deficient cells and overcomes methotrexate resistance

  2023 bioRxiv (Cold Spring Harbor Laboratory) preprint Medicine Folate and B Vitamins Research Open access

  2

  citations

11 results