From Quantum Mechanics to Force Fields : A Topical Collection from Theoretical Chemistry Accounts (Highlights in Theoretical Chemistry) / Piquemal, J.-P. (EDT)/ Jordan, Kenneth D. (EDT)

From Quantum Mechanics to Force Fields : A Topical Collection from Theoretical Chemistry Accounts (Highlights in Theoretical Chemistry) 〈Vol. 3〉

Piquemal, J.-P. (EDT)/ Jordan, Kenneth D. (EDT)

Springer（2013/01発売）

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製本 Hardcover:ハードカバー版／ページ数 180 p.／サイズ 37 illus., 12 in color
商品コード 9783642344497

基本説明

15 papers reflect the present questions including the strategies for (i) the inclusion of the polarzation energy and (ii) an optimal parametrization of models.

Full Description

The authors of this volume illustrate recent trends in the design and application of accurate force fields. Expert authors discuss the optimization and parametrization of new models, put in perspectives the actual importance of the polarization energy, as well as review or propose new models explicitly for incorporating polarization.