Polyatomic molecules in condensed phase: bond order index and solvation energy studied by RISM-SCF theory
The reference interaction site model – self-consistent field (RISM-SCF) theory was applied to a series of polyatomic molecules in aqueous solution, including CH₄, NH₃, H₂O and HF. The bond order index, which characterizes the chemical bond, and its change by the solvation were studied by compariso...
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| Veröffentlicht in: | Condensed Matter Physics |
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| Datum: | 2007 |
| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2007
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| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/118701 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Polyatomic molecules in condensed phase: bond order index and solvation energy studied by RISM-SCF theory / H. Sato, D. Yokogawa, S. Sakaki // Condensed Matter Physics. — 2007. — Т. 10, № 3(51). — С. 373-380. — Бібліогр.: 14 назв. — англ. |