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.
- ISBN:
- 9783540544111
- 9783540544111
-
Category:
- Chemistry
- Format:
- Paperback
- Publication Date:
-
25-09-1991
- Publisher:
- Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
- Country of origin:
- Germany
- Pages:
- 168
- Dimensions (mm):
- 235x155x10mm
- Weight:
- 0.31kg
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