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Systematic study of the nine hydrogen-bonded dimers involving ammonia, water, and hydrofluoric acid

✍ 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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πŸ“œ SIMILAR VOLUMES


A PCILO study of the nine hydrogen bonde
✍ Milan Remko πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science βš– 239 KB

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

Studies in hydrogen bonding: Association
✍ George Brink; Leslie Glasser πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 459 KB

## 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__