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Bond length distortions associated with torsion potentials; ab-initio studies on methanedio

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
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.ernet.in/id/eprint/32264

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