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Supercomputer and Chemistry 2: Debis Workshop 1990 Ottobrunn, November 19 20, 1990: Workshop Proceedings

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.

yazar:Springer; Softcover reprint of the original 1st ed. 1991 basım

Isbn 13:978-3540544111

yayınevi:Springer; Softcover reprint of the original 1st ed. 1991 basım

Boyutlar ve boyutlar:15.6 x 0.97 x 23.39 cm

Tarafından gönderildi
Supercomputer and Chemistry 2: Debis Workshop 1990 Ottobrunn, November 19 20, 1990: Workshop Proceedings:25 Eylül 1991

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