Reviews in Computational Chemistry - 4: Reviews in Computational Chemistry, Volume 4

'Reviews in Computational Chemistry' ist ein unverzichtbares Nachschlagewerk - ein Muß überall dort in der Chemie, wo Molekülmodellierung als selbstverständlicher Ansatz zur Problemlösung genutzt wird.
 
Die Reihe verfolgt die zahlreichen Entwicklungen in der Computerchemie. Sie bringt Beiträge, mit denen der Leser Probleme erkennen und lösen kann. Gleichzeitig kann er damit Schlüsselarbeiten rasch ausfindig machen.
 
Im vierten Band der Serie werden quantenmechanische ab initio- Methoden diskutiert und analysiert. Weitere Themen sind - Hardware- und Software-Probleme
- Molekulare Dynamik
- Entwicklung eines Lehr- und Studienplans für Computerchemie

Sommario

Aus dem Inhalt:
A Survey of Methods for Searching the Conformational Space of small and Medium-Sized Molecules/ Simplified Models for Understanding and Predicting Protein Stucture/ Molecular Mechanics: The Art and Science of Parameterization/ Approaches to Empirical Force Fields/ Calcualating the Properties of Hydrogen Bonds by Ab Initio Methods/ Net Atomic Charge and Multipole Models for the Ab Initio Molecular Electric Potential/ Molecular Electrostatic Potentials and Chemical Reactivity/ Semiempirical Molecular Orbital Methods/ The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property Modeling/ The Electron-Topological Approach to the QSAR Problem/ The Computational Chemistry Literature/ Appendix: Compendium of Software for Molecular Modeling

Info autore

Kenny B. Lipkowitz, PhD, is a retired Professor of Chemistry from North Dakota State University.
Donald B. Boyd was apponted Research Professor of Chemistry at Indiana University - Purdue University Indianapolis in 1994. He has published over 100 refereed journal papers and book chapters.

Riassunto

This volume in the series brings together reknowned experts in the field to present the reader with an account of the latest developments in quantum mechanics, molecular dynamics, and the teaching of computational chemistry. There are so many developments in the field of computational chemistry that it is difficult to keep track of them.

Dettagli sul prodotto

• Autori: Donald B. Boyd, Lipkowitz, Kb Lipkowitz, Kenny B. Lipkowitz, Kenny B. (Department of Chemistry Lipkowitz, Kenny B. Boyd Lipkowitz, LIPKOWITZ KENNY B BOYD DONALD B
• Con la collaborazione di: Donald B. Boyd (Editore), Boyd Donald B. (Editore), Kenny B. Lipkowitz (Editore), Lipkowitz Kenny B. (Editore)
• Editore: Wiley, John and Sons Ltd
• Lingue: Inglese
• Formato: Copertina rigida
• Pubblicazione: 29.01.1993
• EAN: 9780471188544
• ISBN: 978-0-471-18854-4
• Pagine: 300
• Collana: Reviews in Computational Chemistry
• Serie: Reviews in Computational Chemi; Reviews in Computational Chemistry
• Categorie: Scienze naturali, medicina, informatica, tecnica > Chimica > Chimica fisica; Chemie, Physikalische Chemie, chemistry, Computational Chemistry, Computational Chemistry u. Molecular Modeling, Computational Chemistry & Molecular Modeling, Allg. Chemie