查询词典 continuum problem

The solvent effects are seriously considered using the conductor-like polarizable continuum model.

利用SCRF方法中的CPCM模型来模拟溶剂化效应。

The long range interaction simulated by polarizable continuum model, the hydrogen bonding interaction, and the whole interaction between the solute and the medium were separately investigated.

分别研究了由极化连续模型模拟的溶剂和溶质分子的长程相互作用，溶剂和溶质分子的氢键作用，以及溶剂和溶质分子的整体作用对分子结构和性质的影响。

The solvent effects were investigated by means of the polarizable continuum model using THF as a solvent at B3LYP/6-31G level.

在B3LYP/6-31G水平上，以四氢呋喃为溶剂，采用可极化连续模型研究了溶剂化效应。

The solvent effect of methanol on the reaction process was investigated with the CPCM method of polarizable continuum model and the supermolecular handling, respectively.

本文先后采用连续介质模型下的CPCM方法和超分子模型考察了CH3OH溶剂对反应进程的影响。

The solvent effects were studied with the conductor-like polarizable continuum model respectively in the solvents acetonitrile and water, and we found that the solvent effects reduce the activation energy, but the reduction is small, these reactions are not sensitive to the solvent polarity.

采用导电极化连续介质模型分别研究了在乙腈与水溶液中反应的溶剂化效应，发现这些溶剂可降低反应的活化能，但降低的程度比较小，反应速率变化不大。

Suspicion and knowledge are poles apart on a continuum of understanding .

怀疑和知悉在理解的统一体上是截然相反的。

With what can only be described as a mind boggling performance of his hit single Whataya Want From Me, appearing as an apparition in dark profile within a green cone of illuminated swirling clouds, Adam delivered the opening verse of the song with clear, strong, yet hauntingly measured notes that swept his audience into a space/time continuum in which only he and they existed, then broke out into full Planet Fierce rock mode complete with glossy Elvis-esque jacket and pompadour, yet facial and body language that was clearly signature Glambert.

这是一场只能以不可思议来形容的表演！他出现在顶灯投射下的漩涡云层之间，譬如黑夜中的幻影，以清澈的有力的叫人难以忘怀的嗓音为他的热门单曲WWFM开场，将观众们送入一个只有他与他们存在的时空。继而爆发，进入了Planet Fierce的摇滚模式，配之以Elvis式的夹克和发型，可同时他的表情与身体语言又是如此典型的Glambert。

The following works have been fulfilled within this thesis: First of all, based on the general principle of virtual displacement of nonlinear continuum mechanics, the geometric and material stiffness matrices is presented, several examples show that both of them can give out accurate result.

其次，通过对交错桁架结构的一些算例对比，得到了该结构一些带规律性的结论，这是国内首次对交错桁架体系进行空间三维的弹塑性全过程分析。

At the higher functioning end of the continuum, therapy can be supportive, psychotherapeutic, family, or cognitive behavioral.

在较高的运行结束了连续疗法可以支持，心理治疗，家庭，或认知行为。

The excited-state intramolecular proton transfer tautomerism reaction of 6-methyl-4-hydroxy pyri-midine monomers and dimmers was investigated by the ab initio method with the self-consistent reaction field with Tomas's polarized continuum mode and CIS theories at HF level on the basis of 6-311+G* and 6-31G basis set. By studying the potential energy surface, it was found that the monomer's ground-state proton transfer process together with the excited-state proton transfer process is a molecular system of four energy level, but dimmers were not, which can be used to explain the fact that UV-visible absorption and fluorescence spectra of monomer and dimers all corresponded to quinoid.

采用 ab initio HF理论的组态相关CIS方法和连续溶剂模型PCM，分别在6-311+G*和6-31G水平上研究了6-甲基-4-羟基嘧啶单体及二聚体激发态质子转移的异构化反应；对其反应势能面的研究发现，单体基态和激发态的异构化反应一起可以形成四能级的分子电子体系，而二聚体的却不能，由此解释了单体和二聚体的紫外吸收光谱和荧光发射光谱均对应于酮式构型的原因。

I am a stripper at heart really.

我真的是个心灵的清洁工。

Some,like Leviton's Decora Occupancy Sensor($70),are designed to replace astandard wall switch.Others are ceiling-mounted.

有些人，如立维腾的装扮感应器(70美元)，旨在取代标准的墙壁开关。