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- 2024
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Mark
Perspective: multi-configurational methods in bio-inorganic chemistry
(
- Contribution to journal › Scientific review
- 2023
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Mark
Histidine oxidation in lytic polysaccharide monooxygenase
(
- Contribution to journal › Article
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Mark
A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes
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- Contribution to journal › Article
- 2022
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Mark
Polarizable Embedding Complex Polarization Propagator in Four- and Two-Component Frameworks
(
- Contribution to journal › Article
-
Mark
New relativistic quantum chemical methods for understanding light-induced therapeutics
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- Contribution to journal › Scientific review
- 2020
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Mark
Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes
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- Contribution to journal › Article
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Mark
The DIRAC code for relativistic molecular calculations
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- Contribution to journal › Article
- 2019
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Mark
Triplet excitation energies from multiconfigurational short-range density-functional theory response calculations
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- Contribution to journal › Article
- 2018
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Mark
Multiconfigurational short-range density-functional theory for open-shell systems
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- Contribution to journal › Article
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Mark
Molecular mechanism of lytic polysaccharide monooxygenases
(
- Contribution to journal › Article