Reviews in Computational Chemistry - 18: REVIEWS IN COMPUTATIONAL CHEMISTRY

Informationen zum Autor 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. Klappentext Seit vielen Jahren praxisbewährt! Auch dieser 18. Band der Reihe Reviews in Computational Chemistry gibt Studenten und Forschern einen Einblick in Rechenverfahren, die sie anwenden wollen, ohne daß die theoretischen Grundlagen zu ihrem Arbeitsgebiet gehören. Das methodische Spektrum umfaßt Molecular Modeling, Quantenchemie, CAMD, QSAR, Molekülmechanik und -dynamik. Mit einem Autoren- und einem Stichwortverzeichnis sowie einer ausführlichen Softwareliste, die Hunderte von Programmen, Dienstleistungen und Anbietern umfaßt. Zusammenfassung This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics covered in Volume 18 include molecular modeling, computer-assisted molecular design (camd), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (qsar). Inhaltsverzeichnis Clustering Methods and Their Uses in Computational Chemistry (Geoff M. Downs and John M. Barnard).The Use of Scoring Functions in Drug Discovery Applications (Hans-Joachim Böhm and Martin Stahl).Potentials and Algorithms for Incorporating Polarizability in Computer Simulations (Steven W. Rick and Steven J. Stuart).New Developments in the Theoretical Description of Charge-Transfer Reactions in Condensed Phases (Dmitry V. Matyushov and Gregory A. Voth).Linear Free Energy Relationships Using Quantum Mechanical Descriptors (George R. Famini and Leland Y. Wilson).The Development of Computational Chemistry in Germany (Sigrid D. Peyerimhoff).Appendix. Examination of the Employment Environment for Computational Chemistry (Donald B. Boyd and Kenny B. Lipkowitz).Author Index.Subject Index....

Dettagli sul prodotto

• Autori: Donald B. Boyd, 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), Kenneth B. Lipkowitz (Editore), Kenny B. Lipkowitz (Editore), Lipkowitz Kenny B. (Editore)
• Editore: Wiley, John and Sons Ltd
• Lingue: Inglese
• Formato: Copertina rigida
• Pubblicazione: 12.11.2002
• EAN: 9780471215769
• ISBN: 978-0-471-21576-9
• Pagine: 384
• Collana: Reviews in Computational Chemistry
• Serie: Reviews in Computational Chemistry; Reviews in Computational Chemi; Reviews in Computational Chemistry; Reviews in Computational Chemi
• Categorie: Scienze naturali, medicina, informatica, tecnica > Chimica > Chimica fisica; Chemie, COMPUTERS / Computer Science, SCIENCE / Chemistry / General, chemistry, Scientific equipment, experiments and techniques, Computational Chemistry, Computational Chemistry u. Molecular Modeling, Computational Chemistry & Molecular Modeling