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

被引：2
作者：
SAPSE, AM
SAPSE, DS
JAIN, DC
机构：
[1] ROCKEFELLER UNIV,NEW YORK,NY 10021
[2] NIGHTINGALE BAMFORD SCH,NEW YORK,NY 10029
[3] CUNY YORK COLL,JAMAICA,NY 11451
来源：
THEORETICA CHIMICA ACTA | 1994年 / 88卷 / 02期
关键词：
NITROSOIMINIUM ION; FORMAMIDE;
D O I：
10.1007/BF01114784
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The attack of a nitrosoiminium ion (an intermediate formed in the decomposition of nitrosamines) on formamide is studied by ab initio methods 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.
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页码：111 / 116
页数：6
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