Murthy, A. S. N. ; Prasad, P. L. ; Singh, Surjit (1976) CNDO/2 Molecular orbital calculations on hydrogen bond and charge transfer interactions with π-electron donors Advances in Molecular Relaxation Processes, 8 (1). pp. 63-66. ISSN 0001-8716
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000187...
Related URL: http://dx.doi.org/10.1016/0001-8716(76)80008-9
Abstract
CNDO/2 calculations for hydrogen bond interaction of H20 and HF and the charge transfer interaction of chlorine with benzene have been carried out. While the dissociation energies for hydrogen bond interactions are satisfactory, they are large for charge transfer interactions. The axial model for the chlorinebenzene interaction has been found to be more stable.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 39163 |
| Deposited On: | 09 May 2011 08:51 |
| Last Modified: | 09 May 2011 08:51 |
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