Title of article
Ab initio study of cyanoguanidine isomers
Author/Authors
B.N. and Arbuznikov، نويسنده , , A.V. and Sheludyakova، نويسنده , , L.A. and Burgina، نويسنده , , E.B.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1995
Pages
6
From page
239
To page
244
Abstract
An ab initio quantum chemical study of the geometric structure and stability of cyanoguanidine isomers was carried out at the Hartree-Fock and Møller-Plesset levels of theory. Two stable separable isomers (‘cyanioime’ and ‘cyanoamine’) are found. This gives evidence in favour of the vibrational spectroscopy data showing the existence of both isomers.
Journal title
Chemical Physics Letters
Serial Year
1995
Journal title
Chemical Physics Letters
Record number
1770921
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