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., 2000, 113, 4974] M...
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| Datum: | 2007 |
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| 1. Verfasser: | |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2007
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| Schriftenreihe: | Condensed Matter Physics |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/118700 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | 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. |