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

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Supercomputer and Chemistry 2: Debis Workshop 1990 Ottobrunn, November 19-20, 1990 - Harms, Uwe (Editor)
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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 short-lived intermediates ...

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Supercomputer and Chemistry 2: Debis Workshop 1990 Ottobrunn, November 19-20, 1990 1991, Springer, Berlin, Heidelberg

ISBN-13: 9783540544111

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