AN AB-INITIO STUDY OF THE ATTACK OF A NITROSOIMINIUM ION ON FORMAMIDEAS A MODEL FOR DNA BASES

Authors
SAPSE AM SAPSE DS JAIN DC
Citation
Am. Sapse et al., AN AB-INITIO STUDY OF THE ATTACK OF A NITROSOIMINIUM ION ON FORMAMIDEAS A MODEL FOR DNA BASES, Theoretica Chimica Acta, 88(2), 1994, pp. 111-116
Citations number
21
Categorie Soggetti
Chemistry Physical
Journal title
Theoretica Chimica Acta → ACNP
ISSN journal
00405744
Volume
88
Issue
2
Year of publication
1994
Pages
111 - 116
Database
ISI
SICI code
0040-5744(1994)88:2<111:AASOTA>2.0.ZU;2-W
Abstract
The attack of a nitrosoiminium ion (an intermediate formed in the deco mposition of nitrosamines) on formamide is studied by ab initio method s at Hartree-Fock level and with the Moller-Plesset (MP2) method. The results show that the complex thus formed is lower in energy than the reactants.