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Analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field method

An analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field (MOZ-SCF) method is presented. MOZ-SCF theory is one of the theories to considering the solvent effects on the solute electronic structure in solution. [Yoshida N. et al., J. Chem. Phys., 20...

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Published in:	Condensed Matter Physics
Date:	2007
Main Author:	Yoshida, N.
Format:	Article
Language:	English
Published:	Інститут фізики конденсованих систем НАН України 2007
Online Access:	https://nasplib.isofts.kiev.ua/handle/123456789/118700
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Journal Title:	Digital Library of Periodicals of National Academy of Sciences of Ukraine
Cite this:	Analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field method / N. Yoshida // Condensed Matter Physics. — 2007. — Т. 10, № 3(51). — С. 363-372. — Бібліогр.: 35 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine

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