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Ajai Kumar
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Volume 100 Issue 5 October 1988 pp 441-446 Physical and Theoretical
Ab initio evaluation of oxidation numbers in some substituted benzenesO P Singh A P Singh Ajai Kumar L S Yadav J S Yadav
Giambiagi’s definition of oxidation number of an atom in a molecule has been applied successfully in the
ab initio SCF theory to calculate oxidation numbers using STO-3G and 4–31G basis sets for some substituted benzenes involving -F, -OH, -CH3 and -NH2 as substituents. The present study suggests that the oxidation numbers also seem to be indicative of their orientational behaviour like the net atomic charges. -
Volume 118 Issue 6 November 2006 pp 441-441
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Journal of Chemical Sciences
Volume 135, 2023
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