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MO LCAO calculation of the barrier to rotation around the C=C bond inα -nitro-β-methylaminoacrylic ester and its anion
Authors:Yu. A. Borisov  K. K. Babievskii  V. I. Bakhmutov  Yu. T. Struchkov  É. I. Fedin
Affiliation:(1) A. N. Nesmeyanov Institute of Heteroorganic Chemistry, Academy of Sciences of the USSR, Moscow
Abstract:Conclusions According to the data from MO LCAO calculations, the barrier to rotation about the C=C bond decreases by a factor of three upon passing from theagr-isomer of a-nitro-beta-methylaminoacrylic ester to its anion on account of the reduction in the order of the double bond.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 1, pp. 123–126, January, 1982.
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