摘要
利用INDO自洽场方法和Edmiston-Ruedenberg定域化方法,计算了多面体碳烷C_(2n)H_(2n)(n=2,3,4,5和10)及其骨架C_(2n),讨论了它们的电子结构、稳定性和化学键性质。
In this paper quantum chemistry calculations on polyhedrones C2.H2.(n= 2,3,4,5 and 10) and their skeletons C2. are made by INDO method and Edmiston-Ruedenberg localization method. Then their electronic structure, stability and the properties of chemical bonds for the molecules are compared and discussed.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1991年第8期1091-1094,共4页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
关键词
碳烷
多面体
分子轨道
电子结构
Polyhedrone C_(2n)H_(2n),INDO calculation, Localized molecular orbital
