Open AccessTheoretical and Computational Chemistry
Author(s) -
Markus Meuwly
Publication year - 2010
Publication title -
chimia
Language(s) - English
Resource type - Journals
eISSN - 2673-2424
pISSN - 0009-4293
DOI - 10.2533/chimia.2010.867
Subject(s) - diastereomer , range (aeronautics) , computational chemistry , chemistry , computer science , nanotechnology , biochemical engineering , materials science , organic chemistry , engineering , composite material
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.