Stretching force constants for fluorine cyanide
โ Scribed by E.E. Aynsley; R. Little
- Publisher
- Elsevier Science
- Year
- 1962
- Weight
- 57 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0371-1951
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The effect of inner-shell polarization on diagonal stretching force constants of OH-, HF, Lii, HCN, C,H,. and C,H, were determined at the 4-21G IeveI via floating-orbital calculations. Inner-shell polarization effects in HF were also determined at the 6-311G.r level. We found that account of inner-s
Semi-empirical molecular-orbital calculations are reported for the O-H stretching force constants of different hydrogen-bonded species of water involving dimeric, trimeric, tetrameric and pentameric associations. These calculations show that -in general -a water molecule bonded to another water mole