Overview
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.
- | Author: Uwe Harms
- | Publisher: Springer
- | Publication Date: Sep 25, 1991
- | Number of Pages: 168 pages
- | Binding: Paperback or Softback
- | ISBN-10: 3540544119
- | ISBN-13: 9783540544111
