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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 Volume 6 Reviews in Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd This Series Brings together Respected Experts in the Field of Computer-Aided Molecular Research. Computational Chemistry is Increasingly used in Conjunction with Organic, Inorganic, Medicinal, Biological, Physical, and Analytical Chemistry, Biotechnology, Materials Science, and Chemical Physics. This Volume Examines Quantum Chemistry of Solvated Molecules, Molecular Mechanics of Inorganics and Organometallics, Modeling of Polymers, Technology of Massively Parallel Computing, and Productivity of Modeling Software. A Guide to Force Field Parameters and a New Software Compendium Round out This Volume. -From Reviews of the Series The Book Transfers a Working Knowledge of Existing Computational Methods and Programs to an Interested Reader and Potential user. Structural Chemistry It Can Be Recommended for Everyone Who Wants to Learn About the Present State of Development in Computational Chemistry. Angewandte Chemie, International Edition in English Zusammenfassung Mit diesem Buch liegt bereits der sechste Band der erfolgreichen Reihe 'Reviews in Computational Chemistry' vor, die geschaffen wurde, um den schnell wachsenden Entwicklungen auf dem Gebiet der Computertechnologie in der Chemie Rechnung zu tragen. Durch den guten Stil und die klare Sprache, die nicht extrem mathematisch ausgerichtet ist, werden Probleme auch für Nicht-Spezialisten der Computertechnologie verständlich. In diesem Band finden vor allem Chemiker der Pharmazie, Biologen, Verfahrenstechniker, Anorganiker und Polymerchemiker interessante Artikel. Inhaltsverzeichnis Methods for Computing Lipophilicity or LogP/ De Novo Ligand Design/ Computation of Interface Phenomena/ Continuum Solvation Models for Semiempirical Caclulations/ Modeling Sorption and Catalysis/ Modeling of Homopolymers/ Empirical Force Fields for Inorganics and Organometallics/ Massive Parallelism in Chemistry/ Synthesis Planning...
