Reviews in computational chemistry. Vol. 14 /

THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER. * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONA...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Lipkowitz, Kenny B., Boyd, Donald B.
Formato: Electrónico eBook
Idioma:Inglés
Publicado: New York, N.Y. : Wiley-VCH, ©2000.
Colección:Reviews in Computational Chemistry.
Temas:
Chemistry > Data processing.
Chemistry > Mathematics.
Cheminformatics.
Cheminformatics
Chimio-informatique.
SCIENCE > Chemistry > Clinical.
Chemistry > Data processing
Chemistry > Mathematics
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Reviews in Computational Chemistry Volume 14; Contents; The Pluses and Minuses of Mapping Atomic Charges to Electrostatic Potentials; An Introduction to Coupled Cluster Theory for Computational Chemists; Introduction to Zeolite Modeling; Toward More Accurate Model Intermolecular Potentials for Organic Molecules; Nonequilibrium Molecular Dynamics; History of the Gordon Research Conferences on Computational Chemistry; Appendix: Published Force Field Parameters for Molecular Mechanics, Molecular Dynamics, and Monte Carlo Simulations; Author Index; Subject Index.

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