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- molecular orbital energy level 分子轨道能级
- 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。
- Molecular Orbital Energy Diagrams for Diatomic Molecules 异核双原子分子的分子轨道能级图
- Keywords Oximido compounds;QSAR;Frontier molecular orbital energy;Molecular connectivity; 肟;毒性;结构化学;分子前沿轨道能;分子连接性;
- Thus each orbit may be called, alternatively, an energy level. 因此,每一个轨道也可以交替地称作一个能级。
- Being at an energy level higher than the ground state. 受激发的处于高于基态的能量级的
- These atoms have the simplest energy level schemes. 这些原子的能级图最为简单。
- 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。
- This vocal vitality is related to energy level. 这种声音的生动性是与精力充沛程度相关的。
- Electromagnetic radiation used to raise atoms or molecules to a higher energy level. 电磁辐射能用来将原子或分子提升到较高能级的电磁辐射
- 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。
- With the increase of conjugated chains,dipole moments increase,however,the energy gaps of frontier molecular orbital decrease and the maximal absorption wavelength shows bathochromic effect. 随着分子共轭链的增长;分子的偶极矩增大;前线分子轨道能级差减小;最大吸收波长发生红移.
- To raise(an atom, for example) to a higher energy level. 激发将(原子核)提高到更高的一个能级。
- 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。
- The release or absorption of quanta above a certain energy level. 在一定能级上量子的释放或吸收的过程。
- E TANK: YOU CAN TOTALLY RECHARGE YOUR ENERGY LEVEL WITH THIS ITEM. 罐:使用这个道具,你能够立即完全回复你的生命能量。
- 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。