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- Title
Solving Chemical Problems with a Mixture of Quantum-Mechanical and Molecular Mechanics Calculations: Nobel Prize in Chemistry 2013.
- Authors
Groenhof, Gerrit
- Abstract
The significance of computer simulations in such varied fields as chemistry, biophysics, structural biology, and materials science is emphasized by the award of the Nobel Prize in Chemistry 2013 to three of the most important pioneers of computational chemistry. Computer simulations are widely used today to interpret experimental results, to test hypotheses, and as inspiration for experiments.
- Subjects
CHEMISTRY problems; CHEMISTRY; COMPUTERS; LEVITT, Michael, 1947-; H-Theorem; KARPLUS, Martin, 1930-; MATHEMATICAL models; CHEMICAL reactions; WARSHEL, Arieh, 1940-
- Publication
Angewandte Chemie International Edition, 2013, Vol 52, Issue 48, p12489
- ISSN
1433-7851
- Publication type
Article
- DOI
10.1002/anie.201309174