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- 2018
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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
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- 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
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Mark
Insight into the reaction mechanism of lipoyl synthase : a QM/MM study
(
- Contribution to journal › Article
- 2017
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Mark
Theoretical study of solvent effects on the decomposition of formic acid over a Co(111) surface
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- Contribution to journal › Article
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Mark
Resolving the Structure of a Well-Ordered Hydroxyl Overlayer on In2O3(111) : Nanomanipulation and Theory
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- Contribution to journal › Article
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Mark
Targeting the reactive intermediate in polysaccharide monooxygenases
2017) In Journal of Biological Inorganic Chemistry(
- Contribution to journal › Article
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Mark
Strain Dependent Light-off Temperature in Catalysis Revealed by Planar Laser-Induced Fluorescence
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- Contribution to journal › Article
- 2016
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Mark
QM/MM Calculations on Proteins
(
- Contribution to journal › Article