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Supercomputer and Chemistry 2

Supercomputer and Chemistry 2

Uwe Harms

66,81 €
IVA incluido
Disponible
Editorial:
Springer Nature B.V.
Año de edición:
1991
Materia
Química física
ISBN:
9783540544111
66,81 €
IVA incluido
Disponible

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Sobre IBD

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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