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Book synopsis

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.

Book details

Book category Books in English Computing & information technology Computer hardware Supercomputers

• Full title: Supercomputer and Chemistry 2
• Subtitle: debis Workshop 1990 Ottobrunn, November 19-20
• Author: Uwe Harms
• Language: English
• Binding: Paperback
• Number of pages: 168
• EAN: 9783540544111
• ISBN: 3540544119
• ID: 01565437
• Publisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
• Weight: 310 g
• Dimensions: 235 × 155 × 11 mm
• Date of publishing: 25. September 1991

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