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Scientific article
English

Ab initio calculations of the conformation and difference electron density of dithio-oxamide

Published inJournal of molecular structure. Theochem, vol. 122, no. 3-4, p. 323-326
Publication date1985
Abstract

The conformation and difference electron density maps for dithio-oxamide were calculated by an ab initio method using a 4-31G basis set. The quasi absence of p conjugation through the central C---C bond is revealed.

Citation (ISO format)
MAREDA, Jiri, GERDIL, Raymond. Ab initio calculations of the conformation and difference electron density of dithio-oxamide. In: Journal of molecular structure. Theochem, 1985, vol. 122, n° 3-4, p. 323–326. doi: 10.1016/0166-1280(85)80093-2
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ISSN of the journal0166-1280
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