FTIR Spectra of Some Pyrimidine Derivatives: AM1, PM3 and ab initio Calculations

被引：2

作者：

Younes, Ghassan ^{[1
]}

EI-Subruiti, Gehan ^{[1
]}

Hasanein, Ahmed A. ^{[1
]}

机构：

[1] Beirut Arab Univ, Fac Sci, Dept Chem, Beirut, Lebanon

来源：

ADVANCES IN INNOVATIVE MATERIALS AND APPLICATIONS | 2011年 / 324卷

关键词：

FTIR; pyrimidine derivatives; AM1; PM3; ab initio calculations; TAUTOMERS; CYTOSINE; GUANINE; DIMERS;

D O I：

10.4028/www.scientific.net/AMR.324.332

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

FTIR spectra of some pyrimidine derivatives have been measured experimentally and the observed FTIR vibrational frequencies have been assigned and reported. The different vibrational frequencies have been calculated by the AM1, PM3, and ab initio methods and compared with the experimentally observed frequencies.

引用

页码：332 / 335

页数：4

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