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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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| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2007
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/118701 |
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