Computational Chemistry
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- 2016
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Mark
Ionization of Cellobiose in Aqueous Alkali and the Mechanism of Cellulose Dissolution
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- Contribution to journal › Article
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O2 activation in salicylate 1,2-dioxygenase : A QM/MM study reveals the role of His162
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- Contribution to journal › Article
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Mark
Does the DFT Self-Interaction Error Affect Energies Calculated in Proteins with Large QM Systems?
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- Contribution to journal › Article
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Mark
Concentration-Induced Association in a Protein System Caused by a Highly Directional Patch Attraction
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- Contribution to journal › Article
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Mark
Catalytic mechanism of human glyoxalase i studied by quantum-mechanical cluster calculations
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- Contribution to journal › Article
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Mark
Density fluctuations of hard-sphere fluids in narrow confinement
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- Contribution to journal › Article
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Mark
Clouding of nonionic surfactants
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- Contribution to journal › Scientific review
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Computational Studies of Molybdenum and Tungsten Enzymes
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- Chapter in Book/Report/Conference proceeding › Book chapter
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Density functional theory of equilibrium random copolymers : Application to surface adsorption of aggregating peptides
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- Contribution to journal › Article
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Water-Mediated Ion Pairing : Occurrence and Relevance
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- Contribution to journal › Scientific review