Vishveshwara, Saraswathi (1978) Bond length distortions associated with torsion potentials; ab-initio studies on methanedio. In: Chemical Physics Letters, 59 (1). 30-32 .
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Official 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: | Journal Article |
|---|---|
| Publication: | Chemical Physics Letters |
| Publisher: | Elsevier Science |
| Additional Information: | Copyright of this article belongs to Elsevier Science. |
| Department/Centre: | Division of Biological Sciences > Molecular Biophysics Unit |
| Date Deposited: | 20 Sep 2010 10:26 |
| Last Modified: | 20 Sep 2010 10:26 |
| URI: | http://eprints.iisc.ac.in/id/eprint/32264 |
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