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- Electronic density of states of organic compounds, polymers, and complex systems 有机化合物,聚合物和复合系统的电子态密度
- electronic density of states 电子态密度
- The geometries of reactants, intermediates, transition states, and products are optimized, and the topological properties of electron density of the chemical bonds are analysed. 优化得到了反应途径中各驻点的几何构型,并采用内禀反应坐标法进行追踪。从量子拓扑学的角度,讨论了在反应过程中各化学键的变化。
- Because of the deceasing electron density of ring critical point, the four-membered ring is weaker. 同时中心四元环的稳定性也在逐渐的减弱。
- Based on the above calculation, we havealso studied the electronic energy structure and total density of states using a slabmodel of 12-layers of Si(111) with and without monolayer of adsorbates and the EHT-ETB method. 计算结果表明;F可以吸附在Si(111)面的顶位和三度空位上;但以顶位为更稳状态.;顶位吸附时;F与表面的距离为1
- Fig.5 The processes on lens fibrocell cytoplasm are normal, and the electron density of cytoplasm is homogeneous in preventive group. 图5预防组大鼠晶状体纤维细胞表面突起正常,胞质电子密度均匀。
- Some of mitochondria in proximal tubule appeared decreased volume and intercristal space, and increased electron density of matrix. 肾近曲小管多数线粒体体积缩小,内腔皱缩,嵴模糊,基质电子密度增高。
- Moreover, the energy Ievel of HOMO, net charge and orbital electron density of O(24) , net charge of O(26) , clog P and cMR have important effect on the fungicidal activity. 此外,化合物的HOMO能级、0(24)的原子净电荷及轨道电子密度、0(26)的原子净电荷、clog P及cMR等均对生物活性产生重要影响。
- Here, we diagnosed the electron density of plasma inside the simulacrum of the radar-dome and did research on improving the capability of the magnetic microwave plasma production. 这里,主要是进行了雷达舱模拟件中的等离子体电子数密度的实验测量以及关于磁增强型微波等离子体发生器是否能提高性能的理论和实验研究。
- The strengths of ionic and covalent bonds mainly decrease in LiMPO_4 from Mn to Ni, and the variations of density of state(DOS) show that the electronic conductivity should be increased from Mn to Ni. 从LiMnPO_4到LiNiPO_4, 离子键和共价键强度都降低,再加上态密度的比较都表明,从LiMnPO_4到LiNiPO_4电导率逐渐升高,这与实验结果一致。
- On this assumption the phonon density of states has been calculated by the Cluster-Bethe-lattice Method (CBLM). 在此前提下;本文采用 CBLM方法(即 Cluster-Bethe-Lattice Method)计算了a-Si:H的声子态密度.
- The energy bands and density of states were calculated using the VASP(Vienna ab-initio simulation package) program. 在此基础上计算了化合物的能带结构和电子能态密度。
- Meanwhile, the density of state near Fermi level increases with the change from high valence to low valence. 同时,费密能级附近的态密度随着价态变低而逐渐增加。
- N(O), the density of state at Fermi level, has been esti-mated by (dH_(c2)/dT)_(T_c). 由(dH_c_2/dT)_(T_c)的测量得到费米面上电子态密度N(0).
- The distribution of local density of states(LDOS) in quasiperiodic photonic crystal(QPC) and the total density of states(DOS) are studied. 本文研究了准晶光子晶体的局域态密度和全态密度。
- Most republic have president as head of state. 大多数共为国国家以总统为国家元首。
- The head of state was deposed by the army. 国家元首被军队废黜了。
- The density of population in this city is very high. 这个城市的人口密度非常高。
- Density of states diagrams for Ti_(17) show a hydrogen induced band at approxi-matel 6.5.ev below the Fermi level in agreement with photoemission results. ti_(17)的态密度图表明;由氢而产生的带位于Fcrmi 能级下约6.;5ev 处;光电子发射的结果是定性相符的
- The premier deals with important affairs of state. 总理处理国家重要事务。