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Beschreibung
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.
debis Workshop 1990 Ottobrunn, November 19–20, 1990
Details
| Verlag | Springer Berlin |
| Ersterscheinung | September 1991 |
| Maße | 23.5 cm x 15.5 cm |
| Gewicht | 283 Gramm |
| Format | Softcover |
| ISBN-13 | 9783540544111 |
| Auflage | Softcover reprint of the original 1st edition 1991 |
| Seiten | 168 |
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