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- equal energy surface 等能面
- An ab initio potential energy surface of He-LiH complex[J]. 引用该论文 黄武英;凤尔银;季学韩;崔执凤.
- When the concentration of rubrene is 0.5% ,device CIE is (0.31,0.34),very near the equal energy point of white light. 器件在掺杂浓度为0.;5%25时;色坐标为(0
- Theoretical analysis and simulation study show that，comparing with CEM，BFP can enhance safety period by approximately 60% while maintaining equal energy overhead. 模拟结果与理论分析表明，与CEM相比，BFP在耗能相等的情况下将安全时间提高约60%25。
- Its discrete [[eigenvalue]]s are called [[potential energy surface]]s and the corresponding [[eigenstate]]s the electronic states of the molecule. 分子的电子哈密顿量的本征值构成分子的势能面，相应的本征态（函数）称为分子的电子态。
- Conclusion It possessed best resist compression, torsion resistant, bent loll equal energy force that designed vertebrae fusion ware and centrum after pedicle of vertebral arch nail fixing. 结论所设计的椎间融合器和椎弓根钉固定椎体后具有较好的抗压、抗扭、屈伸等能力。
- The outline of the molecular reaction dynamics and stereodynamics, together potential energy surface (PES) of reaction systems are given in introduction section. 本论文的引言部分简要介绍了分子反应动力学以及立体动态学的发展和研究现状，同时介绍了势能面的知识。
- In this MCAI course ware, the potential energy surface of a bimolecular reaction system that is composed of three atoms has been described figuratively. 在此课件中，一个由三原子组成的双分子反应体系的位能面被形象地表达出来。
- Rodney J.B., Professor; Ph.D., Florida 1971. Physical and quantum chemistry: predictions of molecular potential- energy surface, structure determination of semiconductors by X-ray diffraction, dynamics of heterocyclic and macro-molecules. Rodney J.;B
- equal energy distribution coefficient 等能分布系数
- A doublet potential energy surface for the reaction of HCCN radical with molecular NO is worked out at the CCSD(T)/6-311G(d,p)//B3LYP/6-311G(d,p) +ZPE level to give four products: P1(HCN+NCO), P2(OH+NCCN), P3[HCN+(CNO)] and P4(HCN+CNO). 在 CCSD( T) /6-3 1 1 G( d;p) //B3 LYP/6-3 1 1 G( d;p) +ZPE水平上对反应 HCCN+NO的二重态反应势能面进行了计算 ;得到了 4种产物 :P1 ( HCN+NCO) ;P2 ( OH+NCCN) ;P3 [HCN+( CNO) ]和 P4( HCN+CNO) .
- The singlet potential energy surface for the CSO 2 system was investigated at the hybrid density functional B3LYP and CCSD(T) (single point) levels with 6 311G ** basis set in order to clarify the reaction mechanism of the radical CS with oxygen. 在B3LYP/6 3 11G 水平上计算出了各物种的优化构型、振动频率和零点振动能 (ZPVE) .;各物种的总能量由CCSD(T) /6 3 11G //B3LYP/6 3 11G 给出;并对总能量进行了零点能校正
- Simultaneity, we put forward a method---multi-body Morse potential?toconstruct the interaction potential of H20. Kinetic calculation was simulatedon the potential energy surface by QCT method. 同时，我们的工作还提出了一种构造三原子H_2O分子的相互作用势的方法-多体Morse势，并使用QCT方法在势能面上进行了动力学计算。
- The integral and differential cross sections for He-N2 were calculated at a collision energy of 27. 3 meV on the BTT potential energy surface by using the coupled channel (CC) method. 用CC方法计算了在BTT势能面上碰撞能为27.;3 meV下He-N_2转动非弹性碰撞截面
- It is equal to me whether he comes or not. 他来不来对我都一样。
- The intermolecular potential energy surface(PES)for C3-Ar system in which the molecular C3 is at its equilibrium structure has been calculated by supramolecule method and CCSD(T) approach with a large basis set containing the bond function set 3s3p2d. 采用超分子耦合簇理论CCSD(T)方法和由键函数3s3p2d组成的大基组;计算得到了范德华体系C3-Ar在C3分子处于线性平衡构型时的全程分子间势能面.
- I was bored with work not equal to my abilities. 我对于那些跟自己能力不相称的工作感到厌倦。
- The treaty was concluded on equal terms. 在平等的基础上订立了条约。
- On the theoretical studies, we have focused our studies on quantum reaction dynamics and potential energy surface calculations including nonadiabatic reaction dynamics and spin-orbital coupling. 理论方面，主要利用量子力学和量子化学，研究光解动力学、双分子反应动力学等。发展反应动力学理论和计算方法。
