Supercomputer and Chemistry 2 : debis Workshop 1990 Ottobrunn, November 19-20, 1990 /
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 an...
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| Format: | eBook |
| Language: | English |
| Published: |
Berlin, Heidelberg :
Springer Berlin Heidelberg,
1991.
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| Online Access: | Connect to the full text of this electronic book |
| Summary: | 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. |
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| Item Description: | Electronic resource. |
| Physical Description: | 1 online resource (VII, 166 pages 88 illustrations) |
| ISBN: | 9783642501753 (electronic bk.) 3642501753 (electronic bk.) |