Reviews in computational chemistry. Volume 1 /

This book is an account of current developments in computational chemistry, a new multidisciplinary area of research. Experts in computational chemistry, the editors use and develop techniques for computer-assisted molecular design. The core of the text itself deals with techniques for computer-assi...

Descripción completa

Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Lipkowitz, Kenny B. (Editor ), Boyd, Donald B. (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: New York, N.Y. : VCH, ©1990.
Temas:
Chemistry > Data processing.
Chemistry > Mathematics.
Cheminformatics
Chimio-informatique.
Chimie > Mathématiques.
Chemistry > Data processing
Chemistry > Mathematics
Chemie.
Wiskundige methoden.
Kwantumchemie.
Moleculaire dynamica.
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Reviews in Computational Chemistry; Contents; Basis Sets for Ab Initio Molecular Orbital Calculations and Intermolecular Interactions; Semiempirical Molecular Orbital Methods; Properties of Molecules by Direct Calculation; The Application of Quantitative Design Strategies in Pesticide Discovery; Chemometrics and Multivariate Analysis in Analytical Chemistry; Searching Databases of Three-Dimensional Structures; Molecular Surfaces; Computer Simulation of Biomolecular Systems Using Molecular Dynamics and Free Energy Peturbation Methods; Aspects of Molecular Modeling.

Ejemplares similares