【摘要】 本文用MS—X_α方法计算了乙硼烷的光电于能谱,并讨论了其成键情况。本文用MS—X_α方法和电荷分割近似计算了电荷转移络合物的电荷分布,讨论了电荷转移随键长的变化规律和Raman光散射增强效应。更多还原

【Abstract】 The Photoelectron spectra of diborane have been calculated by the MS—X_α method with Slater’s transition state procedure, and the bonding nature and the character of some orbitals discussed. Charge distributions of certain charge-transfer complexes have been calculated by the MS—X_α method with the charge-partitioning approximation, the change of the transfered charge with bond lengths and the enhanced effect of Raman scattering of light have been discussed.更多还原