Lone-pair interactions in molecules

Chandra Singh, U. ; Basu, P. K. ; Rao, C. N. R. (1982) Lone-pair interactions in molecules Journal of Molecular Structure: Theochem, 87 (2). pp. 125-132. ISSN 0166-1280

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Official URL: http://www.sciencedirect.com/science/article/pii/0...

Related URL: http://dx.doi.org/10.1016/0166-1280(82)80046-8


Theoretically calculated lone-pair 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:Article
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ID Code:42396
Deposited On:02 Jun 2011 13:08
Last Modified:02 Jun 2011 13:08

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