eBook: Essential Computational Modeling in Chemistry (DRM PDF)
 
電子書格式: DRM PDF
作者: Philippe G. Ciarlet 
分類: Chemistry ,
Quantum & theoretical chemistry ,
Computer science  
書城編號: 20417387


售價: $637.00

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製造商: Elsevier Science
出版日期: 2010/12/07
頁數: 400
ISBN: 9780444537614
 
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商品簡介
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. Various viewpoints of methods and applications are available for researchers to chose and experiment with; Numerical analysis and open problems is useful for experimentation; Most commonly used models and techniques for the molecular case is quickly accessible
Philippe G. Ciarlet 作者作品表

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