A study of hydrogen bond strengths of neutral water clusters (H2O)nusing modified MNDO
β Scribed by S. H. Suck Salk; T. S. Chen; D. E. Hagen; C. K. Lutrus
- Publisher
- Springer
- Year
- 1986
- Tongue
- English
- Weight
- 441 KB
- Volume
- 70
- Category
- Article
- ISSN
- 1432-2234
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## Abstract In the forerunner of this article, we described a MNDO modification designed for studies of compounds with intramolecular Oο£ΏHβ¦οΈO hydrogen bonds. Here, we report the further verification of the modification by means of its application to 14 compounds not considered in its development. Co
The method of localized charge distributions is used to analyze the difference in hydrogen-bond strength between H O ΠΈΠΈΠΈ HOH and H O ΠΈΠΈΠΈ HF in terms of 2 2 the competition between the electronic kinetic energy and the potential energy. The main source of the difference is a relatively larger decrea