Vishveshwara , Saraswathi (1978) Bond length distortions associated with torsion potentials; ab-initio studies on methanediol Chemical Physics Letters, 59 (1). pp. 30-32. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0009-2614(78)85607-3
Abstract
The 4-31G basis set is used to study the bond length variations as functions of dihedral angels in methanediol. This study is compared with O-C-O bond angle optimization studies by Gorenstein and Kar and the possible reason for bond length shorteing in the trans-trans configuration is analysed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 57074 |
| Deposited On: | 26 Aug 2011 02:38 |
| Last Modified: | 26 Aug 2011 02:38 |
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