钌可以促使炔烃通过亚乙烯基钌卡宾金属配合物或钌金属杂环配合物的形式发生碳-碳偶联反应,它的化学性质很大程度上取决于配体的电......

本文用从头计算方法研究了含３２个顶点的硼烷及裸原子簇Ｂ３２与Ｃ２Ｂ３０的构型、稳定性及反应活性。Ｂ３２的优化计算结果表明，１２个５配位与２０个６配位两类硼原子不......

Geometrical optimization and theoretical calculation of the vibrational spectra have been performed for his(C-p-carboran......

利用Gaussian 92从头算程序在6-3lG基组下对C_2B_(10)H_(12),NB_(11)H_(12)和C_2B_(10)H_(11)Cl进行几何优化和振动频率的理论计算......

Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NCCH3)2 (1) with R1C≡CR1(R1 = Et, Ph) in toluene at 80 °C yielded organoru......