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- 2014
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Mark
Comparison of the active-site design of molybdenum oxo-transfer enzymes by quantum mechanical calculations.
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- Contribution to journal › Article
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Light-harvesting capabilities of low band gap donor-acceptor polymers.
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- Contribution to journal › Article
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Interaction and Aggregation of Charged Platelets in Electrolyte Solutions: A Coarse-Graining Approach.
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- Contribution to journal › Article
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Role of histidine for charge regulation of unstructured peptides at interfaces and in bulk.
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- Contribution to journal › Article
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A quantum-mechanical study of the reaction mechanism of sulfite oxidase.
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- Contribution to journal › Article
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Mark
Effect of patchwise slip on fluid flow
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- Contribution to journal › Article
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Coupled-Cluster Interaction Energies for 200-Atom Host-Guest Systems
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- Contribution to journal › Article
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Mark
Analytical Gradients of the Second-Order Moller-Plesset Energy Using Cholesky Decompositions
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- Contribution to journal › Article
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Mark
Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field.
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- Contribution to journal › Article
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Mark
Superior photoprotective motifs and mechanisms in eumelanins uncovered.
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- Contribution to journal › Article