Computational Chemistry
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- 2014
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Mark
Superior photoprotective motifs and mechanisms in eumelanins uncovered.
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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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Coupled-Cluster Interaction Energies for 200-Atom Host-Guest Systems
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- Contribution to journal › Article
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Analytical Gradients of the Second-Order Moller-Plesset Energy Using Cholesky Decompositions
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- Contribution to journal › Article
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A Large-Scale Test of Free-Energy Simulation Estimates of Protein-Ligand Binding Affinities.
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- Contribution to journal › Article
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A Homoleptic Trisbidentate Ru(II) Complex of a Novel Bidentate Biheteroaromatic Ligand Based on Quinoline and Pyrazole Groups: Structural, Electrochemical, Photophysical, and Computational Characterization.
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- Contribution to journal › Article
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Water-Responsive Internally Structured Polymer Surfactant Films on Solid Surfaces
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- Contribution to journal › Article
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Stability of Negatively Charged Platelets in Calcium-Rich Anionic Copolymer Solutions
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- Contribution to journal › Article
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Classical density functional theory & simulations on a coarse-grained model of aromatic ionic liquids.
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- Contribution to journal › Article
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Dielectric response from lattices of dipoles with fixed orientation.
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- Contribution to journal › Article