Murthy, A. S. N. ; Rao, C. N. R. (1968) Molecular orbital treatment of hydrogen bonding by the EHT and the CNDO/2 methods: water Chemical Physics Letters, 2 (2). pp. 123-125. ISSN 0009-2614
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...
Related URL: http://dx.doi.org/10.1016/0009-2614(68)80068-5
Abstract
Hydrogen bonding in water has been studied by employing the extended Hückel (EHT) and semi-empirical LCAOSCF(CN DO/2) methods. The hydrogen bond energy as well as proton potential function have been calculated.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 42287 |
| Deposited On: | 02 Jun 2011 09:30 |
| Last Modified: | 02 Jun 2011 09:30 |
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