Supercomputer and Chemistry 2
Uwe Harms · 1991
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About the book
Supercomputing and networking are of great importance in the field of computer chemistry. In this volume some fundamen- tals are discussed; new results are presented in the paral- lelization of a direct SCF on workstations and of several application programs, in the long time dynamics of proteins and for the IGLO method. A general overview of quantum che- mical calculations of small molecules is included. That com- putational methods complement experimental approaches, is demonstrated with short-lived intermediates (carbocations, alkyl radicals) and the 3-D-structure of saruplase-domains.
Book details
- Year
- 1991
- Language
- English
- Publisher
- Springer Berlin Heidelberg
- Editions
- 4
- Pages
- 166
- ISBN
- 9783642501753
Data source: Wikidata
