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沃新书屋 - Introduction to Computational Chemistry - 出版社：A Wiley Intersclence Publication

A Wiley Intersclence Publication

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内容简介：

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods

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ISBN：9781118825990
出版日期：2017-2-6
适合人群：Students of chemistry, academic researchers in chemistry, chemists in industry, computational scientists, educators in chemistry, and anyone interested in learning about the use of computers in chemical research and development.

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