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- 2019
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Mark
Experimental and theoretical gas phase electronic structure study of tetrakis(dimethylamino) complexes of Ti(IV) and Hf(IV)
(
- Contribution to journal › Article
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Mark
Single-Phase Borophene on Ir(111) : Formation, Structure, and Decoupling from the Support
(
- Contribution to journal › Article
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Mark
Theoretical insights into the aerobic hydrogenase activity of molybdenum-copper CO dehydrogenase
(
- Contribution to journal › Article
- 2018
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Mark
Recent progress in first-principles methods for computing the electronic structure of correlated materials
(
- Contribution to journal › Scientific review
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Mark
Theoretical perspectives on ultrafast and non-linear spectroscopy
2018)(
- Thesis › Doctoral thesis (compilation)
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Mark
Influence of Quantum Interference on the Thermoelectric Properties of Molecular Junctions
(
- Contribution to journal › Article
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Mark
Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods
(
- Contribution to journal › Article
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Mark
Reaction mechanism of formate dehydrogenase studied by computational methods
(
- Contribution to journal › Article
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Mark
Insight into the reaction mechanism of lipoyl synthase : a QM/MM study
(
- Contribution to journal › Article
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Mark
Quantum Refinement Does Not Support Dinuclear Copper Sites in Crystal Structures of Particulate Methane Monooxygenase
(
- Contribution to journal › Article