ISBN: 9780471357278

Principles of Molecular Mechanics Katsunosuke Machida Computational methods in chemistry have become increasingly important over recent years, and today many chemical laboratories in indu… mais…

Principles of Molecular Mechanics Katsunosuke Machida Computational methods in chemistry have become increasingly important over recent years, and today many chemical laboratories in industry and academia are routinely applying the principles of molecular mechanics. This unique book, written from a theoretical chemist's point of view, brings together the mathematical and theoretical basis of calculations used in many molecular mechanics software tools, and will be indispensable for anyone using computational techniques. Principles of Molecular Mechanics contains a discussion of the fundamental analytical expressions used in calculating molecular properties from molecular force fields derived from a wide variety of mathematical and physical methods. Practical algorithms are outlined with an emphasis on speeding up calculation and saving computer memory, essential to researchers designing or improving computer programs for molecular mechanics. This book is essential reading for all researchers and graduate students working in molecular simulations, computational chemistry, theoretical chemistry and physical chemistry. New Textbooks>Hardcover>Science>Chemistry>Chemistry, Wiley Core >2 >T<

1999, ISBN: 9780471357278

Edição encadernada

Wiley-Kodansha, Gebundene Ausgabe, Auflage: 1. 328 Seiten, Publiziert: 1999-09-20T00:00:01Z, Produktgruppe: Buch, Hersteller-Nr.: Ill. 1.35 kg, Chemie, Naturwissenschaften & Technik, Kate… mais…

Wiley-Kodansha, Gebundene Ausgabe, Auflage: 1. 328 Seiten, Publiziert: 1999-09-20T00:00:01Z, Produktgruppe: Buch, Hersteller-Nr.: Ill. 1.35 kg, Chemie, Naturwissenschaften & Technik, Kategorien, Bücher, Ingenieurwissenschaft & Technik, Wiley-Kodansha, 1999<