Supercomputer and Chemistry 2
debis Workshop 1990 Ottobrunn, November 19-20
(Sprache: Englisch)
Ottobrunn, November 19-20, 1990
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Produktinformationen zu „Supercomputer and Chemistry 2 “
Ottobrunn, November 19-20, 1990
Klappentext zu „Supercomputer and Chemistry 2 “
Supercomputing and networking are of great importance in thefield 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.
Inhaltsverzeichnis zu „Supercomputer and Chemistry 2 “
- SuperComputing - What is New- Local Area Networks - A Survey
- Public Broadband Networks - Present State and Future Perspectives
- Fast Access to Supercomputer Applications
- High Speed Networking Solutions
- Computational Chemistry in Industry - A Parallel Direct SCF
- Quantum Chemical Investigations of Reactive Intermediates. Carbocations and Alkyl Radicals
- Long Time Dynamics of Proteins: An Off-Lattice Monte Carlo Method
- Quantum Mechanical Calculations of Small Molecules
- Parallel Processing and Computational Chemistry
- The Direct IGLO Method for the Calculation of NMR Chemical Shifts with the Program TURBOMOLE
- Computer Aided Protein Design: Three Dimensional Model Building of the Saruplase Structure
Bibliographische Angaben
- 1991, Softcover reprint of the original 1st ed., 168 Seiten, Maße: 23,5 cm, Kartoniert (TB), Englisch
- Herausgegeben von Harms, Uwe
- Verlag: Springer
- ISBN-10: 3540544119
- ISBN-13: 9783540544111
Sprache:
Englisch
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