1) Degenerate molecular orbit
简并分子轨道
2) highest occupied molecular orbitals
简并轨道
1.
Momentum distributions,electron density distribution and other basic properties of the highest occupied molecular orbitals(HOMOs,176-180) of C_(60) have been studied using density functional theory(DFT) method in its ground electronic state.
用密度泛函理论(DFT)方法研究C60分子的外价能量简并轨道的动量分布、空间电子密度分布等基本性质。
3) Huckel method
简单分子轨道法
4) near-degenerate orbital
近简并轨道
1.
Th e result shows that part-occupied near-degenerate orbitals split value and dia ferromagnetic coupling increases when symmetry of hetero tri-radicals decreases .
结果表明 :对于异自旋三自由基体系 ,形成异自旋后对称性降低使部分占据的近简并轨道能级劈裂值增大 ,反铁磁耦合作用普遍增强 。
5) orbital degeneracy
轨道简并度
6) HMO methods
简单分子轨道方法
1.
Based on the characteristic matrix, the HMO methods were improved by using self similarity and graph theory.
以特征矩阵为出发点，根据自相似性原理，结合图论的有关理论对简单分子轨道方法（ＨＭＯ）作了改进。
补充资料：崇简
1.郑重选择。
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参考词条