Software Update: The ORCA Program System—Version 6.0

• Determination and Recovery of Spin‐States for a High‐Spin and a Spin‐Crossover Complex by Means of X‐Ray Wavefunction Refinement

  2026 Chemistry - A European Journal article Materials Science Magnetism in coordination complexes Open access

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  citations
• Time-resolved investigation of photocatalytic allene deracemization with kinetic modeling and force-field-based molecular dynamics

  2026 The Journal of Chemical Physics article Chemistry Photochemistry and Electron Transfer Studies Open access

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  citations
• 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

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  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
• 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

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  citations
• Detection of the Carcinogen Benzo[ a ]pyrene through Photochemically Induced Dynamic Nuclear Polarization: Linking Liquid-State 1 H NMR with Spatially Resolved Imaging

  2026 Analytical Chemistry article Chemistry Advanced NMR Techniques and Applications Open access

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  citations
• Can Cyanide Radicals Drive Molecular Backbone Growth on Interstellar Icy Grains?

  2026 The Astrophysical Journal article Physics and Astronomy Astrophysics and Star Formation Studies Open access

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  citations
• Light-driven reversible ring contraction and expansion to modulate strain, conformation, and reactivity

  2026 Chem article Materials Science Photochromic and Fluorescence Chemistry Open access

  2

  citations
• Photochemical Deracemization of Chromanes and its Application to the Synthesis of Enantiopure Bioactive Compounds

  2025 Angewandte Chemie International Edition article Chemistry Radical Photochemical Reactions Open access

  6

  citations
• Photochemical Deracemization of Chromanes and its Application to the Synthesis of Enantiopure Bioactive Compounds

  2025 Angewandte Chemie article Chemistry Radical Photochemical Reactions Open access

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  citations
• A sensitivity analysis of interstellar ice chemistry in astrochemical models

  2025 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  1

  citations
• An Efficient Exciton Coupling Scheme Based on Simplified Time-Dependent Density Functional Theory

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

  1

  citations

12 results