DFT calculated HOMO, LUMO energies, Ionisation potentials (Ip) and Electron affinity (EA) of studied aryldimesityl borane(DMB) derivative calculated.
收藏数据链接：
官方服务：
资源简介：
aΔ(HOMO) = E(HOMO DMB derivative) – E(HOMODMB),bΔ(LUMO) = E(LUMO DMB derivative) – E(HOMODMB),cIp = E+(G)0- E0(G)0 and dEA(eV) = E-(G)0- E0(G)0.DFT calculated HOMO, LUMO energies, Ionisation potentials (Ip) and Electron affinity (EA) of studied aryldimesityl borane(DMB) derivative calculated.
创建时间：
2015-12-02
