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- 2012
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Mark
Quantum-mechanical studies of reactions performed by cytochrome P450 enzymes
(
- Contribution to journal › Scientific review
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Mark
Surface composition of clean and oxidized Pd75Ag25(100) from photoelectron spectroscopy and density functional theory calculations
(
- Contribution to journal › Article
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Mark
Coarse-Graining of Ionic Microgels: Theory and Experiment
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- Contribution to journal › Article
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Mark
Computational study of the catalytic effect of platinum on the decomposition of DNT
(
- Contribution to journal › Article
- 2010
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Mark
Electron localization in few-electron concentric quantum rings
2010) 18th International Conference on Electronic Properties of Two-Dimensional Systems 42(4). p.841-843(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
- 2009
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Mark
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
(
- Contribution to journal › Article
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Mark
Colloidal interactions in thermal and athermal polymer solutions: The Derjaguin approximation, and exact results for mono- and polydisperse ideal chains
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- Contribution to journal › Article
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Mark
Density functional theories of surface interactions in salt solutions
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- Contribution to journal › Article
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Mark
Nitrogen 1s NEXAFS and XPS spectroscopy of NH3-saturated Si(001)-2x1: Theoretical predictions and experimental observations at 300 K
(
- Contribution to journal › Article
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Mark
Adsorption of methanol on Ni3Al(111) and NiAl(110): A high resolution PES study
(
- Contribution to journal › Article