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- 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。
- 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。
- 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
- Ground state structure and superconductivity of the metallic hydrogen 金属氢的基态结构及超导电性
- There is a stable ground state of the atom. 原子有一个稳定的基态。
- ground state structures 基态结构
- The ground states structure of clusters 团簇的基态结构
- 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
- 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。
- 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
- 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。
- 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。
- Democratisation succeeds only when a strong and autonomous civil society outside state structures can come into being. 民主化只能在国家结构之外稳固,且自治度高的市民社会中成功。
- Ground state structure 基态结构
- This crisis, not in growth but in capital accumulation, is further complicated by a different phenomenon, the loss of legitimation of the state structures. 这种危机不是成长危机,而是资本积累的危机,由于另一种不同现象而更加复杂,亦即国家结构的丧失正当性。
- At the same time, we may expect the degree of collective and individual secu rity to decrease, perhaps vertiginously, as the state structures lose more and more legitimacy. 在此同时,我们可以期待集体与个人的安全程度下降,也许令人头晕眼花,因为国家结构失去越来越多正当性。
- Using the latter (GGA) very good results for molecular geometries and ground state energies have been achieved. 利用GGA可以得到很好的分子结构和基态能的计算结果。
- The calculated results show that a new stable ground state can be developed on account of spin-phonon coupling. 计算结果表明,自旋-声子耦合相互作用可以使系统建立一个新的稳定基态。
- Otherwise the ground state glueball would be stable againest strong interaction which is not true! 这就是说,人们会先验地把自旋为2的粒子跟传递引力的粒子联系起来。
- Theoretical Study on hyperfine splitting of ground state of hydrogenlike ions[J]. 引用该论文 罗月娥;董晨钟;丁晓彬.