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portada supercomputer and chemistry 2: debis workshop 1990
Type
Physical Book
Illustrated by
Publisher
Author
Year
1991
Language
English
Pages
168
Format
Paperback
Dimensions
23.4x15.6x1 cm
Weight
0.26 kg.
ISBN
3540544119
ISBN13
9783540544111
Categories

supercomputer and chemistry 2: debis workshop 1990

Uwe Harms (Illustrated by) · Springer · Paperback

supercomputer and chemistry 2: debis workshop 1990 - Harms, Uwe

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Synopsis "supercomputer and chemistry 2: debis workshop 1990"

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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