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- lowest free molecular orbital (LFMO) 最低自由分子轨道
- lowest free molecular orbital 最低自由分子轨道
- 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。
- 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)。
- The free molecular micro-electro-thermal resistojet(FMMR) is one promising candidate in the micro thruster family. 各国航天界正在研究各种微型的高性能的推进器,自由分子微电阻加热推力器(Free Molecular micro-electro-thermal resistojet, FMMR)就是其中的一种。
- free electron molecular orbital model 自由电子分子轨道模型
- 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。
- With the extreme low free formaldehyde adhesive, it is harmless to health and is a green product. 采用极低游离甲醛胶合剂,对人体无害是最具环保色彩的绿色产品。
- 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。
- A preparation method of urea-formaldehyde resin adhesive with low free formaldehyde content and high adhesive strength was presented. 介绍了含游离甲醛低的粘结强度大的建筑行业用脲醛树脂粘合剂的制备方法。
- 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。
- The synthesis method was modified to achieve low free formaldehyde in sulfonated amino resin and to improve its retanning and filling properties in leather making industry. 以获得低游离甲醛含量的氨基树脂为目的,并改善其复鞣填充的综合性能,对磺化氨基树脂合成工艺进行了改进。
- The reasons of low free SO2 content in litchi fruit wine were investigated in this paper and the addition of N source nutritions to increase free SO2 content was also studied. 本文探讨了荔枝酒中游离SO2偏低的原因,并研究了通过添加N源营养素来增加游离SO2的含量。
- 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)。
- The one dimensional simulation revealed the agreement of the method with the free molecular flow, the exact solution of the continuum flow and the precise solution of the Boltzmann equation. 一维模拟显示其与自由分子流,连续介质的准确解和玻尔兹曼精确数值解相符。
- 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...