[PDF.20eo] From Quantum Mechanics to Force Fields: A Topical Collection from Theoretical Chemistry Accounts (Highlights in Theoretical Chemistry)

From Quantum Mechanics to Force Fields: A Topical Collection from Theoretical Chemistry Accounts (Highlights in Theoretical Chemistry)

[PDF.tu56] From Quantum Mechanics to Force Fields: A Topical Collection from Theoretical Chemistry Accounts (Highlights in Theoretical Chemistry)

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 | #7705924 in Books |  2013-02-09 | Original language:English | PDF # 1 |  11.00 x.70 x8.50l,1.55 | File type: PDF | 204 pages

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The authors of this volume illustrate recent trends in the design and application of accurate force fields. 15 papers reflect the present questions including the strategies for (i) the inclusion of the polarization energy and (ii) an optimal parametrization of models. They highlight the directions to follow as new exciting fields of application emerge. Expert authors discuss the optimization and parametrization of new models, put in perspectives the actual importance of ...

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