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应用GAUSSIAN 92从头算方法研究了Ge6H6 几何构型的稳定性和电子结构 ,主要研究了两种最可能的几何构型 ,发现最稳定的构型是平面六锗苯 .平面六锗苯比棱柱六锗苯的能量低 2 0 .9kJ/mol,我们也研究了平面六锗苯和棱柱六锗苯的电子结构
GAUSSIAN 92 was used to study the geometry and electronic structure of Ge6H6. The two most probable geometries were studied. The most stable structure was found to be plane hexagermanium. The energy of germanium benzene is low 2.09 kJ / mol, and we also study the electronic structure of planar hexagermane and prismatic hexagermanobenzene