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- 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.
- Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) energy gap of a series of dimension-variational single wall carbon nanotubes m=n=3,4,5,6,7,8,10 were computed. 选取 m=n=3,4,5,6,7,8,10 等结构的 armchair型碳管,采用 AM1 方法对最高已占据分子轨道 HOMO和最低空余轨道LUMO能级以及其能量进行系统计算和分析,其结果与实验结果一致。
- Highest occupied molecular orbital energy (Ehomo) of frontier molecular orbital (FMO), molecular connecticity (nXv) indices and partition coefficients (Kow) of organic chemicals were used to study the structure and activity of some new oximido compounds. 以有机肟类化合物为研究对象，利用分子前沿轨道能和分子连接性指数等参数为分子表征因子，对肟类化合物的急性生物毒性进行定量结果一活性相关预测。
- We measure the lowest unoccupied molecular orbit (LUMO) and the highest occupied molecular orbit (HOMO) of PBD and Alq3 by electrochemistry cyclic voltammetry and optical absorption. 利用电化学循环伏安法和光吸收分别测定PBD和Alq3最低空分子轨道(LUMO)和最高占据分子轨道(HOMO)。
- HOMO (Highest Occupied Molecular Orbital) 最高被占用分子轨道
- highest occupied molecular orbital(HOMO) 最高占有分子轨道
- HOMO highest occupied molecular orbital 最高已占轨道
- highest occupied molecular orbital (HOMO) [化] 最高占据轨道; 最高占据分子轨道; 最高已占分子轨道
- highest occupied molecular orbital 最高占据分子轨道
- Electron momentum spectroscopy of the highest occupied molecular orbitals of Chlorobromomethane[J]. 引用该论文 杨学峰;吴芳;单旭;严密;王克栋;薛新霞;陈向军;徐克尊.
- highest occupied molecular orbitals 简并轨道
- occupied molecular orbital 已占分子轨道
- Keywords TaSi_n;Ir_n;Clusters;Relativistic density functional method;Structures;Stabilities;The highest occupied molecular orbital - lowest unoccupied molecular orbital gaps （HOMO-LUMO gaps）; 团簇;相对论密度泛函理论;结构;稳定性;最高占据轨道与最低未占据轨道能隙;
- Electron momentum spectroscopy of the highest occupied molecular orbitals of Chlorobromomethane 溴氯甲烷分子最高占有轨道的电子动量谱学研究
- The result shows that, the cova-lent bond of Ce-X(X represents halogen) is mainly due to the 5d and 4f orbitals of cerium) The spin unpairedly occupied molecular orbital is primarily composed of the 4f orbital of cerium; 结果表明,Ce-X(X为卤素)共价键主要由Ce的5d和4f轨道与卤素构成; 未成对电子基本分布在Ce的4f轨道上;
- highest occupied molecular(orbital) 最高占有分子(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。
