화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.106, No.11, 2614-2616, 2002
Quantum mechanical study of stabilization of germaneselones
Substituent effects on the potential energy surfaces of X2Ge=Se (X = H, F, Cl, Br, and CH3) were investigated by density functional theory and CCSD(T) methods. The theoretical findings suggest that both thermodynamic and kinetic stabilities of germaneselones are strongly dependent on the substituents, pointing to F2Ge=Se as a good candidate for experimental detection.