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- The ground state structure and vibrational frequencies of H8TPyP6+ were calculated using density functional theory (DFT) at the B3LYP/6-31G* level. 采用密度泛函理论(DFT)方法在B3LYP/6-31G*水平上优化H8TPyP6-的基态几何结构并计算了振动光谱。
- Ground state structure and superconductivity of the metallic hydrogen 金属氢的基态结构及超导电性
- The ground states structure of clusters 团簇的基态结构
- We also calculated the density of states (DOS) of the ground state structures of Aln clusters, discussed the HUMO-LUMO gap of Aln clusters and found Aln clusters may present metallic properties. 同时我们还计算了各个铝团簇的基态结构的态密度和HUMO-LUMO能量差,数据分析表明这些铝团簇有一些金属性的倾向。
- Relationship between the Shape of Suspension Particle and Ground State Structure in Electrorheological Fluid 电流变液中悬浮粒子形状与其固态结构之间的关系
- 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
- Theoretical Studies on Ground State Structure, Electronic Energy Level and Absorption Spectra of PPV Oligomers with Biphenyl Bridge 联苯桥联的PPV齐聚物基态构型、电子能级和吸收光谱的理论研究
- There is a stable ground state of the atom. 原子有一个稳定的基态。
- Ground state structure 基态结构
- However, the ground state we obtained is a distorted structure of a bicapped pentaprism. 然而，我们获得的基态结构是一种扭曲的带两个帽子原子的五棱柱。
- The ground state of hydrogen is stable for an indefinitely long period of time. 基态氢可以在无限长的时期内处于稳定状态。
- For the structure with Oh symmetry, the DVM-Xa results shows that the electronic configuration of ground state is non magnetic, and is disagreement with experimental data. 对于具有O_h点群对称性的结构,分子轨道的结果表明该团簇的基态是顺磁性的,与实验结果不相容;
- The ground state energy and the binding energy of a bound polaron in Quantum-dot Quantum well structure are calculated, and the free polaron is also studied. 我们数值计算了量子点量子阱结构中的自由极化子和束缚极化子的基态能量以及基态结合能。
- Molecules excited electronically, are unstable relative to the ground state. 相对于基态来说，电子被激发了的分子是不稳定的。
- Theoretical study on electronic state structure and stability of EuC molecule[J]. 引用该论文 范鲜红;王志刚;闫冰;张存华;潘守甫.
- Gramsci discriminated the two major layers in the overtop structure of the modern state structure: cival society and political society. 正是这一社会结构、阶级构成的历史变迁促成了现代民主国家职能和法律功能的革命性转向。
- ground state structures 基态结构
- Due to the true solid state structure,all EL displays are inherently rugged and capable of handling wide temperature ranges and wide viewing angles. 采用真正固态结构，电致发光显示器坚固耐用，可适应大范围温度的变化和视角的变化。
- State structure and transformation of carbides in carburized layers are analized by use of telescope,X-ray diffraction and energy spectrum. 通过电镜、X射线衍射和能谱，分析了渗碳层中碳化物形态结构及转变。
- The major result has been a massive disinvestment in state structures. 主要后果是对国家结构的广泛幻灭。
