Kniha From Quantum Mechanics to Force Fields Jean-Philip Piquemal

From Quantum Mechanics to Force Fields

A Topical Collection from Theoretical Chemistry Accounts

Jazyk: Angličtina
Vazba: Pevná
Dostupnost: Skladem u dodavatele
Odesíláme za 10-13 dnů
2 286
The authors of this volume illustrate recent trends in the design and application of accurate force...

Informace o knize

Jazyk
Angličtina
Vazba
Kniha - Pevná
Vydáno
2013
Stránek
204
EAN
9783642344497
ISBN
3642344496
Enbook ID
01662481
Hmotnost
7086
Rozměry
210 x 279 x 16

Kompletní popis

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 new models explicitly for incorporating polarization. They also present models that are applied to difficult systems or challenging fields of application. §Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume is of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

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