LUMO
英
美
网络 最低空轨道; 最低未占据分子轨道; 最低未占轨道; 最低未占分子轨道; 最低未占据轨道
双语例句
- Their UV absorption and fluorescence emission properties were discussed through the energy gap △ E between HOMO and LUMO orbitals, the orbital diagrams and the charge densities of the related carbon atoms.
通过HOMO和LUMO轨道能量差△E、分子轨道图及相关碳原子上的电荷密度讨论了分子结构和大小对这些化合物紫外吸收和荧光发光性质的影响。 - Results ① The component of HOMO and LUMO mainly distributed from C-3 to N-6 and O-21 on the ring A, B;
结果①本组化合物的HOMO、LUMO主要分布在母环A环和B环的C3位到N6位这一区域以及O21位上； - Main contribution of HOMO come from oxygen atoms for the two tubular structures, while LUMO contribution is from silicon atoms.
两种管状结构最高占据轨道HOMO处主要为结构中氧原子的贡献，最低未占据轨道LUMO处主要是硅原子的贡献。 - The HOMO-LUMO energies of these clusters have also calculated.
同时，对上述团簇的HOMO-LUMO能量间隔进行了计算。 - The molecular radius and molar volume in gas, the dipole moment in gas, water and methanol, the sum of negative M ü lliken charges and the frontier molecular orbital ( LUMO and HOMO) were also calculated at the same level.
在气相条件下计算了分子的半径及分子的体积，并在气相、水和甲醇介质中计算了分子的偶极矩、分子中原子的M櫣lliken电荷、分子的前线轨道。 - And the LUMO energy of B decreases and the energy gap of it narrows.
从能量上看分子B的LUMO轨道被降低，能级差变小。 - It means that the interaction between pigment molecules and protein chains do not influence the contribution to the frontier orbitals of protein chains explicitly, but influences the corresponding E LUMO levels significantly.
这意味着色素分子与蛋白链之间的相互作用对蛋白链前线轨道的贡献没有影响，但却能影响相应色素分子的ELUMO能级。 - The calculated results indicate that Compound C has a lower energy difference between HOMO and LUMO.
计算结果显示，分子（C）具有较低的跃迁能。 - In reaction, each reactant gives its electrons in HOMO to the LUMO of other reactant simultaneously, which is different from the conditional mechanism of 4+ 2 cycloaddition.
反应中，这两个反应物同时把自己的HOMO电子填入对方的LUMO轨道，这与传统的4+2环加成机理不同。 - Energy levels of HOMO-1 and LUMO+ 1 change limit, but huge difference in moment of dipole;
HOMO-1和LUMO+1能级变化幅度不大，而偶极矩差异较大； - According to the catalytic principle, the catalyst increases HOMO energy or decreases the LUMO energy of the molecular interaction.
结果表明只要催化剂能提高相互作用中的HOMO能级或降低LUMO能级（并使对称性匹配），均能加速化学反应。 - The electronic clouds focus on the main chain fluorene units but none on side ones on both HOMO and LUMO.
HOMO和LUMO上电子云主要集中在主链芴环上，侧链上几乎没有电子云分布，与其它轨道相比电子流动性较强。 - With increase of electric field intensity, dipole, total system energy, LUMO and HOMO energy level of C60 molecule decrease. However the energy gap between LUMO and HOMO decrease firstly, and then increase.
随着外加电场强度的增加，C60分子的偶极矩增大，系统能量、LUMO，HOMO能级减小，但LUMO，HOMO之间的能隙却先是减小，然后增大。 - The switch of HOMO and LUMO changes both the shape of electronic spectra and the nature of excitations of the isomers.
HOMO和LUMO的交换改变了异构体的电子光谱的形状和激发态的性质。 - Electron cloud distribution of the excited HOMO → LUMO moved from chromophore moiety to BP moiety.
激发态的HOMO→LUMO电子云密度分布从生色基团向BP基团上移动。 - Analysis of frontier molecular orbitals reveals that the HOMO is mainly localized on the iridium center and the phenyl part of the ligands and that the LUMO is mainly contributed by the ligand.
通过分析前线分子轨道的成分发现，铱配合物的HOMO主要定域在铱中心和配体的苯环部分，而LUMO则主要由配体贡献。 - The populations of the Mulliken charge, the highest occupied molecular orbital ( HOMO) energy, and the lowest unoccupied molecular orbital ( LUMO) energy were showed that the active centers were mainly focused around oxygen, nitrogen atoms, and the heterocyclic.
Mulliken电荷、最高占据轨道（HOMO）能量和最低空轨道（LUMO）能量分布显示活性中心主要集中在氧原子、氮原子和杂环周围。 - The HOMO and LUMO energies, the vertical excited energies for the ground states and the first excited states of hybrid oligomers lie between thiophene and silole oligomers while oligomers contain the same number of units. 4.
当低聚物具有相同重复单元时，杂化低聚物基态与激发态HOMO和LUMO能量、垂直激发能位于噻吩和噻咯低聚物之间。 - Different configurations, HOMO and LUMO distribution of different, energy gap values are also different.
不同构型，HOMO和LUMO分布不同，能隙值不同。 - Distribution of the electron cloud in the HOMO and LUMO levels are discussed from the view of quantum chemistry.
从量子化学的角度探讨了染料分子中的电子云在HOMO能级与LUMO能级的分布。 - Compared with traditional host material CBP, the above compounds have higher triplet energy levels ( ET) and more suitable HOMO and LUMO energy levels.
与传统的主体材料CBP相比，这些化合物有较CBP更高的三线态能级，和更为合适的HOMO和LUMO轨道能级。 - According to the cyclic voltammetric curves and absorption spectra band gap, we calculated their frontier molecular orbital, HOMO and LUMO energy level.
根据测得的循环伏安曲线并结合紫外光谱的带隙，计算出它们的前线轨道HOMO和LUMO能级。 - We studied UV-vis absorption spectroscopy and electrochemical properties for the obtained polymers, and used the starting absorption wave-length to calculate the band gap between HOMO and LUMO.
对得到的聚合物进行了紫外可见光谱及电化学特性的研究，并用吸收谱的起始吸收波长计算了最高占有轨道（HOMO）和最低空轨道（LUMO）间的带隙。 - The electrochemical suggest that the introduction of the carbazole and diphenyl phosphate oxygen do not affect the HOMO, while that lower the LUMO.
通过电化学的研究证实给电子的咔唑或者吸电子的二苯基磷氧的引入其对分子的HOMO轨道没有影响，而均使得LUMO轨道能级降低。