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Simulation of the solvent effects is carried out by the self-consistent reaction field theory with the polarizable continuum model.

利用含时的密度泛函理论来计算分子的非线性光学性质,而溶剂效应则通过自响应场方法的极化连续模型来模拟。

The effect of various solvents such as water, ethanol and acetonitrile on the title reaction was assessed by the polarizable continuum model.

采用自反应场极化连续模型研究了反应体系在水、乙醇和乙腈溶液中反应的溶剂化效应。

The simulated screening behavior agrees with the experiments and the prediction of the self-consistent field theory.

模拟得出的屏蔽行为与已有的实验结果以及自场的结论一致。

In our state, the drawbacks of the present procuration supervision conflicts with the objective of judicial fairness.

检察监督能够保障和促进司法公正,二者之间的关系主要体现为检察监督的性质、性状和属性与司法公正的实证标准之间具有相互适性。

The decision factors of the chosen routes and spots are: safety , convenience for parking ,pupils'physical endurance ,pupils'interest , the varieties of the scenic spots ,the representing of the scenic spots ,the properness of the time.

二、在路线规划及景点考量方面,考虑的重要因素有:行程安全性、停车便利性、学生的体力、学生的兴趣、景点多样性、景点的代表性、时间的当性。

We thus give a detailed discussion for QCD factorization involved the complete chirally enhanced power corrections for B decays to two light pseudoscalar mesons. We point out that chirally enhanced corrections can be included consistently in the framework of QCD factorization only if the twist-3 distribution amplitudes are symmetric.

我们仔细讨论了B介子衰变到两个轻的赝标介子中的手征增强修正效应并指出,仅在twist-3波函数对称的条件下,手征增强修正才能被自的纳入QCD因子化框架。

Background structure for CME propagation is obtained by the time relaxation method, which guarantees it stable and self-consistent.

CME传播所需的背景结构是采用时间松弛方法计算得到的,这保证背景结构是自和稳定的。

The RMF wave function of nucleus and the particle-hole residual interactions in RRPA are calculated from a same effective Lagrangian.

要求基态和巨共振激发态的研究从同一个有效拉氏量出发。

Quantum adiabatic theorem plays an important role in the application of Schrodinger equation in quantum mechanics.

本文对QAT适用性的一些模糊的问题予以了澄清,并对导致QAT不自的观点进行了评判。。

In that case, the universe could be self contained, and determined completely by the Laws of Science.

如此宇宙就是自的并且完全可以由科学定律予以确定。

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推荐网络例句

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm~150rpm时取得最大值,此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世,形体几无变化。

When I was in school, the rabbi explained everythingin the Bible two different ways.

当我上学的时候,老师解释《圣经》用两种不同的方法。