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 CH<sub>4</sub>, NH<sub>3</sub>, H<sub>2</sub>O and HF. The bond order index, which characterizes the chemi...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2007-09-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.10.3.373 |