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- 2024
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Mark
Reaction Mechanism for CO Reduction by Mo-Nitrogenase Studied by QM/MM
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- Contribution to journal › Article
- 2023
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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
Non-heme FeIV=O complexes supported by four new pentadentate ligands : reactivity towards H- and O-atom transfer processes
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- Contribution to journal › Article
- 2022
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Mark
QM/MM Study of Partial Dissociation of S2B for the E2 Intermediate of Nitrogenase
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- Contribution to journal › Article
- 2021
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Mark
Hg(II) Binding to Thymine Bases in DNA
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- Contribution to journal › Article
- 2020
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Mark
Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I
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- Contribution to journal › Article
- 2019
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Mark
Excited State Dynamics of Bistridentate and Trisbidentate RuII Complexes of Quinoline-Pyrazole Ligands
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- Contribution to journal › Article
- 2016
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Mark
Theoretical Study of Phosphodiester Hydrolysis and Transesterification Catalyzed by an Unsymmetric Biomimetic Dizinc Complex.
2016) In Inorganic Chemistry(
- Contribution to journal › Article
- 2015
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Mark
Homoleptic Iron(II) Complexes with the Ionogenic Ligand 6,6'-Bis(1H-tetrazol-5-yl)-2,2'-bipyridine: Spin Crossover Behavior in a Singular 2D Spin Crossover Coordination Polymer.
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- Contribution to journal › Article
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Mark
Synthesis, Crystal Structure, and Bonding Analysis of the Hypoelectronic Cubic Phase Ca5Pd6Ge6.
(
- Contribution to journal › Article