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- 2024
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Mark
H2 formation from the E2–E4 states of nitrogenase
(
- Contribution to journal › Article
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Mark
Side-group switching between metal-to-ligand charge-transfer and metal-centered excited state properties in iron(II) N-heterocyclic carbene complexes
(
- Contribution to journal › Scientific review
- 2023
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Mark
First-Row d6 Metal Complex Enables Photon Upconversion and Initiates Blue Light-Dependent Polymerization with Red Light
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- Contribution to journal › Article
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Mark
Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53 : A Molecular Dynamics Investigation
2023) In Journal of Chemical Theory and Computation(
- Contribution to journal › Article
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Mark
Variational Pair-Density Functional Theory : Dealing with Strong Correlation at the Protein Scale
2023) In Journal of Chemical Theory and Computation(
- Contribution to journal › Article
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Mark
Two-body dissociation of isoxazole following double photoionization - an experimental PEPIPICO and theoretical DFT and MP2 study
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- Contribution to journal › Article
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Mark
Exploring the effect of electric field on charge-transfer states at non-fullerene D/A interface
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- Contribution to journal › Article
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Mark
Control of spin polarization through recollisions
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- Contribution to journal › Article
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Mark
Beyond-Mean-Field with an Effective Hamiltonian Mapped from an Energy Density Functional
2023) 28th International Nuclear Physics Conference, INPC 2022 In Journal of Physics: Conference Series 2586.(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
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Mark
Ligand-centered to metal-centered activation of a Rh(iii) photosensitizer revealed by ab initio molecular dynamics simulations
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- Contribution to journal › Article