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Essential Computational Modeling in Chemistry

Philippe G Ciarlet author

Format:Paperback

Publisher:Elsevier Science & Technology

Published:7th Dec '10

Currently unavailable, and unfortunately no date known when it will be back

Essential Computational Modeling in Chemistry cover

Presents key selections from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005).

Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. This guide provides a reference of computational methods for use in understanding chemical reactions and how to control them.Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005). Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. Sophisticated mathematical models are increasingly complex and extensive computer simulations are on the rise. Numerical Analysis and scientific software have emerged as essential steps for validating mathematical models and simulations based on these models. This guide provides a quick reference of computational methods for use in understanding chemical reactions and how to control them. By demonstrating various computational methods in research, scientists can predict such things as molecular properties. The reference offers a number of techniques and the numerical analysis needed to perform rigorously founded computations.

ISBN: 9780444537546

Dimensions: unknown

Weight: 630g

400 pages