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Supercomputer and Chemistry 2: debis Workshop 1990 Ottobrunn, November 19¿20, 1990

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Knygos aprašymas

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.

Informacija

Leidėjas: Springer Berlin Heidelberg
Išleidimo metai: 1991
Knygos puslapių skaičius: 180
ISBN-10: 3540544119
ISBN-13: 9783540544111
Formatas: Knyga minkštu viršeliu
Kalba: Anglų
Žanras: Computational chemistry

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