Supercomputer and Chemistry 2: debis Workshop 1990 Ottobrunn, November 1920, 1990,Used

Supercomputer and Chemistry 2: debis Workshop 1990 Ottobrunn, November 1920, 1990,Used

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SKU: DADAX3540544119
Brand: Springer
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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 shortlived intermediates (carbocations, alkyl radicals) and the 3Dstructure of saruplasedomains.

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