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- localized molecular orbital (LMO) [化] 定域分子轨道
- truncated localized molecular orbital 缩短定位的分子轨道
- Keywords Localized molecular orbital;Centroids of LMO Symmetry;Chemical bond; 定域分子轨道;对称性;化学键;
- localized molecular orbital 定域分子轨道
- localized molecular orbit 定域分子轨道
- Localized fragment molecular orbital (LFMO) 定域片断分子轨道
- Molecular Orbital Theory and Pericyclic Reactions: Modern concepts of bonding and aromaticity. 分子轨道理论和周环反应：关于化学键和芳香性的现代概念。
- This paper analyzes shell electron pair repulsion theory, valence-bond theory and molecular orbital theory on molecular structure of noble gas compounds. 对稀有气体化合物的分子结构分别用“价层电子对互斥理论”、价键理论”和“分子轨道理论”进行了分析处理。
- Molecular Orbital Theory and Crystal Field Theory demonstrated the possibility of the complextion reaction between L-Cys and hemoglobin. 运用分子轨道杂化理论和配合物晶体场理论论证了半胱氨酸和血红蛋白之间发生配位反应的可能性。
- By applying the H ckel molecular orbital method in elucidating magnetic property and polarity of ozong molecule in substance. 用休克尔分子轨道法从本质上说明了臭氧分子的磁性和极性。
- The basic geometry structure, the vibration spectra and molecular orbital density of the C20 fullerene molecule have been studied. 利用密度泛函方法研究了富勒烯 分子的结构、光谱和分子轨道分布特性。
- Whether asphalt carbon or pyrolytic carbon, substrate material have three-tier structures: the basic structural units (BSU), Local molecular orientation (LMO) and texture. 基体材料无论是热解炭还是沥青炭，都有三级结构，基本结构单元(BSU)、小区域分子取向(LMO)、织构；
- The article deals with the oil and rock mineral property according to the molecular orbit theory and the energy band theory of the solid material. 该文依据分子轨道理论和固体物质的能带理论,对石油及岩石矿物的荧光性成因进行了论述。
- Furthermore, several concepts such as fuzzy irreducible representation and fuzzy generalized parity for molecular orbital with fuzzy symmetry have been put forward. 建立具有模糊对称性分子轨道的模糊表示及其模糊特徵标（模糊广义宇称）。
- Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the N-H... 利用分子轨道从头算理论和密度泛函理论结合不同理论基组对于N-H...
- One carbon unit transfer reaction of imidazolinium with 1,2 diaminobenzene has been studied with PM3 semi empirical molecular orbital calculations in this paper. 叶酸辅酶在酶催化的一碳单元转移过程中具有重要的作用,已有大量的实验及实验模拟对其生物学功能进行了研究分析。
- The structural comparison of the studied complexes indicated that their stabilities were related to the extent of coupling between ligand molecular orbit and metal orbit. 络合结构分析表明，植酸与金属离子形成络合物的稳定性和配体分子轨道与金属轨道耦合程度有关；
- Symmetrization of the Localized Fragment Molecular Orbital Basis 定域片断轨道基组的对称化
- Energy of the highest occupied molecular orbital ( E HOMO ) and energy of the lowest unoccupied molecular orbital ( E LUMO ) of 6 m-anilines and 7 p-phenols were calculated by quantum chemical method MOPAC 6.0-AM1 in Chems 3D software. 采用Chems 3D中量子化学MOPAC -AM1法计算了 7种间苯胺类和 8种对苯酚的分子最高占有轨道能EHOMO、分子最低空轨道能ELUMO.
