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From Quantum Mechanics to Force Fields: A Topical Collection from Theoretical Chemistry Accounts

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From Quantum Mechanics to Force Fields: A Topical Collection from Theoretical Chemistry Accounts - Piquemal, Jean-Philip (Editor), and Jordan, Kenneth D (Editor)
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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 the polarization energy, as well as review or propose ...

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From Quantum Mechanics to Force Fields: A Topical Collection from Theoretical Chemistry Accounts 2016, Springer, Berlin, Heidelberg

ISBN-13: 9783662511756

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