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Supercomputer and Chemistry 2: debis Workshop 1990 Ottobrunn, November 19–20, 1990

Editat de Uwe Harms
en Limba Engleză Paperback – 25 sep 1991

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Specificații

ISBN-13: 9783540544111
ISBN-10: 3540544119
Pagini: 180
Ilustrații: VII, 168 p. 58 illus.
Dimensiuni: 155 x 235 x 9 mm
Greutate: 0.26 kg
Ediția:Softcover reprint of the original 1st ed. 1991
Editura: Springer Berlin, Heidelberg
Colecția Springer
Locul publicării:Berlin, Heidelberg, Germany

Public țintă

Research

Cuprins

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.