Theoretical and Computational Chemistry

Authors

  • Markus Meuwly Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel

DOI:

https://doi.org/10.2533/chimia.2010.867

Keywords:

Globins, Molecular dynamics simulations, Organometallics, Proton transfer, Chemical reactions

Abstract

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.
CHIMIA Vol. 64 No. 12 (2010): Vol. 64 No. 12 (2010): The 550th Anniversary of the University of Basel : Centuries of Excellence in Chemistry

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Published

2010-12-15

How to Cite

[1]
M. Meuwly, Chimia 2010, 64, 867, DOI: 10.2533/chimia.2010.867.

Issue

Vol. 64 No. 12 (2010): The 550th Anniversary of the University of Basel : Centuries of Excellence in Chemistry

Section

Scientific Articles

License

Copyright (c) 2010 Swiss Chemical Society

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.