Uwe Harms
Supercomputer and Chemistry 2
debis Workshop 1990 Ottobrunn, November 19–20, 1990
Paperback Engels 1991 9783540544111Levertijd ongeveer 9 werkdagen
Gratis verzonden
Samenvatting
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.
Specificaties
ISBN13:9783540544111
Taal:Engels
Bindwijze:Paperback
Aantal pagina's:168
Uitgever:Springer Berlin Heidelberg
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