ccyy
- 网络双方
ccyy-
The fully-optimized molecular geometries and the total energies as well as the total bond energies of cis - and trans-isomers in substituted ethylenes ( XX ′ CCYY ′) have been calculated using DFT method at B3LYP / 6-31G ( d ) and STO-3G lever .
对十四种取代乙烯（XX′CCYY′）顺反异构体进行了DFTB3LYP/631G（d）水平的几何全优化的总能量、总键能的计算。