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

By: Harms, U.

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.

• Format: Paperback
• Language: English
• ISBN: 3540544119
• ISBN13: 9783540544111
• Release Date: September 1991
• Publisher: Springer
• Length: 168 Pages
• Weight: 0.57 lbs.
• Dimensions: 0.4" x 6.1" x 9.2"