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.
Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel. m.meuwly@unibas.ch
Markus
M
Meuwly
D002621:Chemistry / Q000379:methods*; D002625:Chemistry, Organic / Q000379:methods; D003198:Computer Simulation; D004583:Electrons; D008024:Ligands; D008315:Malondialdehyde / Q000737:chemistry; D008670:Metals / Q000737:chemistry; D008956:Models, Chemical; D015233:Models, Statistical; D011522:Protons; D012997:Solvents; D013053:Spectrophotometry / Q000379:methods
D008024:Ligands; D008670:Metals; D011522:Protons; D012997:Solvents; D008315:Malondialdehyde