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Lone-pair interactionsnext term in previous termmolecules

Singh, U Chandra and Basu, PK and Rao, CNR (1982) Lone-pair interactionsnext term in previous termmolecules. In: Journal of Molecular Structure (Theochem), 87 (2). pp. 125-132.

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Theoretically calculated previous termlone-pairnext term splittings in H2O2, H2S2, N2H4, P2H4, glyoxal and dithioglyoxal have been compared with experimental values. Potential functions for rotation and the effect of geometry relaxation on rotomer energies have also been examined.

Item Type: Journal Article
Publication: Journal of Molecular Structure (Theochem)
Publisher: Elsevier Science
Additional Information: Copyright of this article belongs to Elsevier Science.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 28 Aug 2009 15:44
Last Modified: 19 Sep 2010 05:41
URI: http://eprints.iisc.ac.in/id/eprint/22309

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