理论计算的光跃迁能和实验结果一致。
Our calculated optical transition energies are in good agreement with experimental data.
计算结果显示，分子（C）具有较低的跃迁能。
The calculated results indicate that Compound C has a lower energy difference between HOMO and LUMO.
计算了此两种氨基酸从基态到最低激发态的跃迁能。
The transition energy from the ground state to the lowest excited state of these two amino acids is also calculated.
计算了此两种氨基酸从基态到最低激发态的跃迁能。
The transition energy from the ground state to the lowest excited state of these two amino acids has also been calculated.
用密度泛函方法计算了复合物的基态结构、振动频率和电子跃迁能。
Density functional theory calculations were carried out to examine the structure and normal mode frequencies of the ground state of the complex and its electronic transition energies.
最高占有轨道（HOMO）到最低空轨道（LUMO）的跃迁能很小，电子较易进行嵌入和脱出。
While the electron intercalates and deintercalates easily due to the smaller energy that orbit leaps from the HOMO orbit to the LUMO orbit.
而且，如果采矿行动能基本按计划执行，他们甚至也能准备好至少一艘具有本星区内跃迁能力的船。
And even if the mining operation is close to on-schedule, they'll have at least one ship readied with the capability for a local jump.
在PM3/CIS水平上计算了它们的电子光谱，得到了由基态到各激发态的垂直跃迁能和相应的振子强度。
At PM3/CIS level, the vertical excitation spectra were calculated and the vertical excitation energies and corresponding oscillator strength from the ground states to the excited states are obtained.
用改进的PPP-CI方法计算染料分子的跃迁能和电荷密度，结果表明，茚苯胺染料的光退色速率与染料分子中某些原子上的电荷密度有关，单重态氧可能在光退色过程中起着重要作用。
The transition energies and charge densities of dye molecules are calculated by modify PPP-CI method. The results show that the photofading rates are closely related to the charge densities ons…
但它在那些情况下并不成为问题，因为一个电子永远不可能跃迁到任何一个负能态之中。
But it didn't matter under those conditions because an electron could then never jump into one of the states of negative energy.
通过统计所发出X光的数量，然后对照激光脉冲的频率，测量小组能得出一个非常精确的测量值，从2s能级到2p能级跃迁所需的量子能量。
By counting the number of such X-rays while scanning the frequency of the laser pulse, the team could make a very precise measurement of the photon energy required to drive the 2s-2p transition.
本文用考虑了相对论修正的势模型计算重夸克偶素的能谱、轻子宽度和辐射跃迁宽度。
Using a potential model with relativistic correction we evaluated the spectrum, lepton decay widths and radiative transition widths of heavy quarkonium systems.
这两个方案都使用了受激拉曼跃迁来操控原子的能态。
Both experiments utilize stimulated Raman transitions in manipulating the atoms' internal and external states.
还从研究不同温度下的电导而求得活化能，发现为负值，从中讨论了离子跃迁规律。
And the electric conductivity of various temperature has been investigated, so that the activity energy is known as minus value with electric ion low dealt with.
用非绝热小极化子跃迁模型对高温的电阻特性进行拟合处理，得到了激活能；
The temperature dependence of resistivity at high temperature is well fit by nonadiabatic small polaron hopping model for LCBMO and LSBMO samples, and their activation energies are obtained.
用非绝热小极化子跃迁模型对高温的电阻特性进行拟合处理，得到了激活能；
The temperature dependence of resistivity at high temperature is well fit by nonadiabatic small polaron hopping model for LCBMO and LSBMO samples, and their activation energies are obtained.
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