Reviews in Computational Chemistry

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

Spis treści:
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

Okładka tylna:
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 Pol ymers, 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