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

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

by Uwe Harms
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Book cover type: Paperback
  • ISBN13: 9783540544111
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Springer
  • Publisher Imprint: Springer
  • Publication Date:
  • Pages: 168
  • Original Price: EUR 49.99
  • Language: English
  • Edition: Softcover Repri
  • Item Weight: 281 grams
  • BISAC Subject(s): Chemistry / Clinical, Chemistry / Physical & Theoretical, and Computer Architecture

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.

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