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One of the Holy Grails of quantum mechanical calculation is to predict properties of matter prior to experiments, to examine the physical properties or processes that are inaccessible by experiments.

量子化学是研究分子微观结构、性质和分子间相互作用的基础学科,在近20年中,量子化学的基础理论和计算方法取得了显著进展。

The fundamental theory of hadronic interactions——quantum chromodynamics, is very effective in dealing with various processes in high energy by application of perturbertive methods.

相互作用的基本理论是量子色动力学,它对于解决高能强子问题非常有效,但对于低能标下的非微扰计算仍然很困难。

We find that,because of the strong spatial anisotropy of theelectron hoppings,the on-site Coulomb interaction has different effects on these magnetic orderstates.

此外,我们发现是格点和最近邻库仑相互作用的联合作用使得CE相变成相对稳定的相。

Calculation from the above we have been able to clearly see the property tax and house prices, as well as the interaction between the return on investment.

计算从上述我们已经能够清楚地看到物业税和房价,以及之间的相互作用的投资回报率。

Printing pressure is the basis for the design of imprinters and printing ink's transferring into the surface of bear and print things.

印刷压力是指在印刷中油墨由印版向承印物转移的过程中,压印体之间相互作用的力。

For lack of laboratory apparatus and technique, its very hard to observe the micro-process between energetic ions and tumor cells at present.

在微观上,载能离子与生物体相互作用的原初物理过程,是研究微剂量学及其相关生物效应的基础。

The adsorption of H atom on W low index surfaces was investigated with the 5-parameter Morse potential (5-MP) and the extended LEPS (constructed by 5-MP). All critical characteristics of this system were obtained.

应用原子和表面簇合物相互作用的5参数Morse 势及由5参数Morse势组装推广的LEPS方法对H-W低指数表面吸附体系进行了研究,并获得了全部临界点特性。

For these reasons it is difficult to explain how universals interact with other things that exist.

基于这些理由,难以解释共相和其他存在的东西是如何相互作用的

The effect of different buffer to the interaction process of taxol and tubulin is different and complex.

水相中缓冲溶液的组成对紫杉醇与微管蛋白相互作用的影响较复杂。

We don't know, for example, if sALS is triggered by a handful of interacting genes or genes plus environment or environment alone.

他解释称,例如,我们不知道ALS是不是由大量相互作用的基因、基因加上环境或者只是环境所引起的。

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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。