Natural transition orbitals

• Photovermellogens: Minimalistic Pyridinium-Based Acylhydrazones with Photoswitchable Basicity for Operation in Aqueous Media

  2026 The Journal of Organic Chemistry article Materials Science Photochromic and Fluorescence Chemistry Open access

  0

  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
• Oxetane Cleavage Pathways in the Excited State: Photochemical Kinetic Resolution as an Approach to Enantiopure Oxetanes

  2025 Journal of the American Chemical Society article Chemistry Radical Photochemical Reactions Open access

  7

  citations
• Limiting Molecular Twisting: Upgrading a Donor–Acceptor Dye to Drive H2 Evolution

  2024 Advanced Science article Energy Advanced Photocatalysis Techniques Open access

  5

  citations
• A systematic IR and VUV spectroscopic investigation of ion, electron, and thermally processed ethanolamine ice

  2024 Monthly Notices of the Royal Astronomical Society article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  10

  citations
• Hot Exciton versus Hot Exciplex TADF Mechanism – Effect of the Donor‐Acceptor Functionalization Pattern on Anthracene‐based Emitters

  2024 ChemPhotoChem article Engineering Organic Light-Emitting Diodes Research Open access

  11

  citations
• Strategies to Enhance the Rate of Proton‐Coupled Electron Transfer Reactions in Dye‐Water Oxidation Catalyst Complexes

  2022 ChemPhotoChem article Chemistry Photochemistry and Electron Transfer Studies Open access

  2

  citations
• Fast Screening of Minimum Energy Crossing Points with Semiempirical Tight-Binding Methods

  2022 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies

  22

  citations
• Tuning the photophysical properties of BODIPY dyes used in DSSCs as predicted by double‐hybrid TD‐DFT : The role of the methyl substituents

  2022 International Journal of Quantum Chemistry article Energy TiO2 Photocatalysis and Solar Cells

  19

  citations
• Influence of the amine donor on hybrid guanidine-stabilized Bis(μ-oxido) dicopper(III) complexes and their tyrosinase-like oxygenation activity towards polycyclic aromatic alcohols

  2021 Journal of Inorganic Biochemistry article Chemistry Metal-Catalyzed Oxygenation Mechanisms

  11

  citations
• Reduced Arene Complexes of Scandium

  2020 Chemistry - A European Journal article Chemistry Coordination Chemistry and Organometallics Open access

  22

  citations

11 results