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Abstract：
The rotational energy barriers of some symmetrical N-nitroso compounds (NNGs) (N-nitrosodimethylamine, N-nitrosodiethylamine, N-nitrosodiphenylamine and N-nitrosocarbazole) were calculated using the MNDO method. The calculated values are consistent with the experimental values. In addition, predictive calculations of the rotational energy barriers of some asymmetric NNCs (TV-nitrosomethyl-2-oxopropylamine and N-nitrosoethylmethylamine) for which no experimental values are available were carried out using the MNDO method. The significance of the rotational barriers in carcinogenesis is discussed. © 1993.
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Journal of Molecular Structure: THEOCHEM
ISSN： 0166-1280
Year： 1993
Issue： 1
Volume： 280
Page： 117-120
Cited Count：
WoS CC Cited Count： 0
SCOPUS Cited Count： 4
ESI Highly Cited Papers on the List： 0 Unfold All
WanFang Cited Count：
Chinese Cited Count：
30 Days PV： 9
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