Author/Authors :
B.N. and Arbuznikov، نويسنده , , A.V. and Sheludyakova، نويسنده , , L.A. and Burgina، نويسنده , , E.B.، نويسنده ,
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.
