Systematic study of the nine hydrogen-bonded dimers involving ammonia, water, and hydrofluoric acid
β Scribed by Dill, J. D.; Allen, L. C.; Topp, W. C.; Pople, J. A.
- Book ID
- 125942105
- Publisher
- American Chemical Society
- Year
- 1975
- Tongue
- English
- Weight
- 872 KB
- Volume
- 97
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
The PCILO method was used for the study of the nine hydrogen bonded dimers formed by NH3, H20 and HF. According to our calculations the PCILO method reproduces well some properties of the hydrogen bond. The calculated energies and geometries are compared with available experimental data, ab initio a
## Abstract An empirical potential EPEN has been used to find the stable geometries and approximate hydrogenbond energies of the mixed dimers formed between molecules of water, methanol, ammonia, and methylamine. These results are compared with results in the literature obtained using __ab initio__