Studies on interactions of ions with nitromethane and acetonitrile using CNDO/force method

Brakaspathy, R. ; Singh, Surjit (1987) Studies on interactions of ions with nitromethane and acetonitrile using CNDO/force method Proceedings of the Indian Academy of Sciences - Chemical Sciences, 99 (4). pp. 253-260. ISSN 0253-4134

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Official URL: http://www.ias.ac.in/j_archive/chemsci/99/vol99con...

Related URL: http://dx.doi.org/10.1007/BF02881247

Abstract

CNDO/force calculations on the complexes of nitromethane and acetonitrile with H+, Li+, F- and Cl- have been carried out to determine their geometrical parameters and stretching force constants. The results are discussed in terms of specific interactions between the ions and the molecules.

Item Type:Article
Source:Copyright of this article belongs to Indian Academy of Sciences.
Keywords:CNDO/Force; Geometry Optimization; Force Constants; Ion-molecular Interactions; Nitromethane and Acetonitrile
ID Code:39144
Deposited On:09 May 2011 07:53
Last Modified:09 May 2011 07:53

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