Computational Chemistry
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- 2019
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Mark
Two aspects of simulating disorder
2019)(
- Thesis › Licentiate thesis
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Mark
Geometry and Electronic Structure of the P-Cluster in Nitrogenase Studied by Combined Quantum Mechanical and Molecular Mechanical Calculations and Quantum Refinement
(
- Contribution to journal › Article
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Mark
Impact of effective polarisability models on the near-field interaction of dissolved greenhouse gases at ice and air interfaces
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- Contribution to journal › Article
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Mark
Intercalation of cationic peptides within Laponite layered clay minerals in aqueous suspensions : The effect of stoichiometry and charge distance matching
(
- Contribution to journal › Article
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Mark
Why does sulfite reductase employ siroheme?
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- Contribution to journal › Article
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Mark
On short-ranged pair-potentials for long-range electrostatics
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- Contribution to journal › Article
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Mark
Local Grand Canonical Monte Carlo Simulation Method for Confined Fluids
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- Contribution to journal › Article
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Mark
Theoretical insights into the aerobic hydrogenase activity of molybdenum-copper CO dehydrogenase
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- Contribution to journal › Article
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Mark
Effect of excess charge carriers and fluid medium on the magnitude and sign of the Casimir-Lifshitz torque
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- Contribution to journal › Article
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Mark
Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor
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- Contribution to journal › Article