Theoretical and Computational Chemistry
Copyright policy )Theoretical and Computational Chemistry
Computer-based and theoretical approaches to chemical problems can provide atomistic understanding of complex processes at the molecular level. Examples ranging from rates of ligand-binding reactions in proteins to structural and energetic investigations of diastereomers relevant to organo-catalysis are discussed in the following. They highlight the range of application of theoretical and computational methods to current questions in chemical research.
- University of Basel Switzerland
Models, Statistical, Molecular dynamics simulations, Chemistry, Organic, Organometallics, Electrons, Ligands, Proton transfer, Globins, Chemistry, Models, Chemical, Metals, Spectrophotometry, Chemical reactions, Malondialdehyde, Solvents, Computer Simulation, Protons, QD1-999
Models, Statistical, Molecular dynamics simulations, Chemistry, Organic, Organometallics, Electrons, Ligands, Proton transfer, Globins, Chemistry, Models, Chemical, Metals, Spectrophotometry, Chemical reactions, Malondialdehyde, Solvents, Computer Simulation, Protons, QD1-999
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