Title Applying molecular and materials modeling / Phillip R. Westmoreland ... [and others]

Published Dordrecht ; Boston : Kluwer Academic Publishers, [2002] ©2002

Copies

Location	Call no.	Vol.	Availability
W'PONDS	541.220113 Wes/Ama		AVAILABLE

Description xxiv, 573 pages : illustrations ; 25 cm Series Springer Nature Book Archives Millennium (2000-2004) Contents 1. Introduction / Phillip R. Westmoreland -- 2. Science: Electronic Structure, Thermochemistry and Kinetics / Keiji Morokuma -- 3. Science: Molecular Simulations and Mesoscale Methods / Peter T. Cummings -- 4. Science: Information Technologies / Peter A. Kollman -- 5. Applications: The Chemical Industry / Anne M. Chaka -- 6. Applications: Pharmaceuticals and Life Sciences / Peter A. Kollman -- 7. Applications: Physical and Electronic Materials / Priya Vashishta -- 8. Applications: Catalysis / Matthew Neurock -- 9. Infrastructure Issues for Applying Molecularly Based Modeling / Ellen B. Stechel -- 10. International Comparison / Phillip R. Westmoreland and Peter A. Kollman -- 11. Summary and Vision / Phillip R. Westmoreland -- App. A. Biographical Sketches of Panel Members and other Traveling-Team Members -- App. B.1. Site Reports - Europe -- App. B.2. Site Reports - Japan Bibliography Includes bibliographical references and index Subject Molecules -- Models -- Computer simulation. Molecules -- Models -- Computer simulation -- Industrial applications. Author Westmoreland, Phillip R. (Phillip Ray) LC no. 2002033986 ISBN 1402009062 :

Other Titles Applying molecular and materials modeling

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