Reviews in Computational Chemistry (Reviews in Computational Chemistry)

Verkaufsargumente: 1. Themen dieses Bandes: Konformationsanalyse, Molekldynamik und quantitative Struktur/Wirkungs-Beziehung (QSAR) 2. Neue Entwicklungen der Computerchemie werden angesprochen und dabei neue, wichtige Literatur herangezogen. Ein sehr aktueller Anhang informiert ber die vorhandene Software zum 'Molecular Modeling'. 3. Diese Reihe ermglicht es dem Wissenschaftler, neueste Computer-Technologie zu verstehen und diese fr Molekluntersuchungen anzuwenden. 4. Auch in Band 2 kommen renommierte Experten zu Wort, die neueste Entwicklungen der Computerchemie vorstellen. A Survey of Methods for Searching thr Conformational Space of Small and Medium-Sized Molecules (A. Leach). Simplified Models for Understanding and Predicting Protein Structure (J. Troyer and F. Cohen). Moleculaar Mechanics: The Art and Science of Parameterization (J. Bowen and N. Allinger). New Approaches to Empirical Force Fields (U. Dinur and A. Hagler). Calculating the Properties of Hydrogen Bonds by ab Initio Methods (S. Scheiner). Net Atomic Charge and Multiple Models for the ab Initio Molecular Electric Potential (D. Williams). Molecular Electrostatic Potentials and Chemical Reactivity (P. Politzer and J. Murray). Semiempirical Molecular Orbital Methods (M. Zerner). The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property Modeling (L. Hall and L. Kier). The Electron-Topological Approach to the QSAR Problem (I. Bersuker and A. Dimoglo). The Computational Chemistry Literature (D. Boyd). Appendix: Compendium of Software for Molecular Modeling (D. Boyd). Author Index. Subject Index.