Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

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  2026 ACS Catalysis article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization

  0

  citations
• Observing the Spatial and Temporal Evolution of Exciton Wave Functions in Organic Semiconductors

  2026 Physical Review X article Physics and Astronomy Laser-Matter Interactions and Applications 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
• The Grand Canonical General-Purpose Reactivity Indicator: A Conceptual DFT Approach to Predict Molecular Reactivity and Experimental Electrophilicity and Nucleophilicity Scales

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

  3

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  2025 Structural Dynamics article Chemistry Crystal structures of chemical compounds Open access

  8

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• π‐Electron Donation at the Sulfoximidoyl Nitrogen Atom

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

  2

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• π‐Electron Donation at the Sulfoximidoyl Nitrogen Atom

  2025 Angewandte Chemie article Chemistry Synthesis and Catalytic Reactions Open access

  0

  citations
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  2024 Macromolecules article Engineering Fuel Cells and Related Materials Open access cited by 1 patent

  12

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  2023 Physical Chemistry Chemical Physics article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access

  37

  citations
• Quantum chemical calculations of IR spectra of heparin disaccharide subunits

  2022 Computational and Theoretical Chemistry article Physics and Astronomy Spectroscopy and Quantum Chemical Studies

  0

  citations
• Halogen-atom and group transfer reactivity enabled by hydrogen tunneling

  2022 Science article Chemistry Radical Photochemical Reactions Open access

  136

  citations
• Exploring the Electrochemistry of Iron Dithiolene and Its Potential for Electrochemical Homogeneous Carbon Dioxide Reduction

  2022 ChemElectroChem article Energy CO2 Reduction Techniques and Catalysts Open access

  5

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• Self-Assembled Liposomes Enhance Electron Transfer for Efficient Photocatalytic CO 2 Reduction

  2022 Journal of the American Chemical Society article Energy CO2 Reduction Techniques and Catalysts Open access

  82

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• Formation of phenylacetylene and benzocyclobutadiene in the ortho -benzyne + acetylene reaction

  2022 Physical Chemistry Chemical Physics article Chemistry Cyclization and Aryne Chemistry Open access

  11

  citations
• Unveiling a key catalytic pocket for the ruthenium NHC-catalysed asymmetric heteroarene hydrogenation

  2021 Chemical Science article Chemistry Asymmetric Hydrogenation and Catalysis Open access

  20

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• 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
• Evaluation of the Alicyclic Gauche Effect in 2‐Fluorocyclohexanone Analogs: a Combined NMR and DFT Study

  2020 European Journal of Organic Chemistry article Chemistry Structural and Chemical Analysis of Organic and Inorganic Compounds Open access

  4

  citations
• Quantifying soft degrees of freedom in volatile organic compounds: insight from quantum chemistry and focused single molecule experiments

  2020 Physical Chemistry Chemical Physics article Chemistry Molecular Spectroscopy and Structure

  6

  citations

18 results