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- 2024
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H2 formation from the E2–E4 states of nitrogenase
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- Contribution to journal › Article
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Side-group switching between metal-to-ligand charge-transfer and metal-centered excited state properties in iron(II) N-heterocyclic carbene complexes
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- Contribution to journal › Scientific review
- 2023
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The Role of Energy Offsets on Charge Photogeneration Dynamics in Y-Series Molecules-Based Polymer Solar Cells
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- Contribution to journal › Article
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Electrical Conductance and Thermopower of β-Substituted Porphyrin Molecular Junctions─Synthesis and Transport
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- Contribution to journal › Article
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Mark
Protonation of Homocitrate and the E1 State of Fe-Nitrogenase Studied by QM/MM Calculations
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- Contribution to journal › Article
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Mark
Free-Energy Landscape and Rate Estimation of the Aromatic Ring Flips in Basic Pancreatic Trypsin Inhibitors Using Metadynamics
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- Contribution to journal › Article
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N2 binding to the E0–E4 states of nitrogenase
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- Contribution to journal › Article
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First-principles study of luminescence and electronic properties of Ce-doped Y2SiO5
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- Contribution to journal › Article
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Enhanced Understanding of Structure-Function Relationships for Oxomanganese(IV) Complexes
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- Contribution to journal › Article
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Histidine oxidation in lytic polysaccharide monooxygenase
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- Contribution to journal › Article