构象异构体

In contrast, the conformer with trans-trans arrangement is unstable and the energy is higher.

反之，完全采用trans-trans排列的旋转异构体构象能量较高，不稳定。

From the PESes, a total of fourteen glycine conformers, including a new conformer, were found.

从势能面上，取得了总共14个苷氨酸构象异构体，其中包括取得一个新的苷氨酸构象异构体。

For 2,2,4,4-tetrachloropentane,the energy of the conformer with gauche-gauche arrangement is lower; For 2,2,4,4,6,6-hexachloroheptane,the conformer with trans-gauche-trans-gauche arrangement is stable.

结果表明，对于2，2，4，4-四氯戊烷，采用gauche-gauche排列的旋转异构体的能量较低；2，2，4，4，6，6-六氯庚烷旋转异构体中，采用trans-gauche-trans-gauche排列的构象能量较低。

Then, have explored the conformer interconversion among all glycine conformers, and discussed some arguments about glycine conformers' symmetries.

研究所有的苷氨酸构象异构体之间相互转换，并且探讨了苷氨酸构象异构体的对称性问题。

These variants change the conformation and stability of nucleosome to facilitate transcriptional activation or deactivation, DNA repairing, heterochromatin formation, and others.

这些变体通过改变核小体的空间构象和稳定性，决定基因转录的激活或沉默，DNA的修复，染色体的异染色化等。

The present calculations predict that thioacetic acid mainly exists as a CH3CSH tautomer, and both tautomers predominately adopt syn conformations, which reproduces the experimental observations.

本文计算预测硫代乙酸主要以CH3CSH的形式存在，两种异构体均以顺式构象为优势构象。

The minimal energy conformations of host-guest complexes were obtained with Tripos force field. Molecular dynamics simulations were carried out to investigate chiral molecular recognition and the distribution of hydrogen bonds. The energies of recognition system were calculated with MM+ force field as well.

首次将分子力学方法引入卟啉的手性分子识别领域的研究；用Tripos力场研究了主客体配合物最低能量构象，比较了同一主体与互为对映异构体的两个氨基酸甲酯形成的配合物的能量差异；用分子动力学模拟方法研究了手性分子识别行为及体系的氢键分布；用MM+力场研究了识别体系的能量。

Geometries and energies of various low-energy conformers of the stereoisomers of 2,2,4, 4-tetrachloropentane and 2,2,4,4,6,6-hexachloroheptane were determined at the MP2 level with a 6-311++G** basis set.

在MP2/6-311++G**水平下，对2，2，4，4-四氯戊烷与2，2，4，4，6，6-六氯庚烷旋转异构体构象进行几何优化和能量计算。

With Death guitarist Schuldiner adopting vocal duties, the band made a major impact on the scene.

随着死亡的吉他手Schuldiner接受主唱的职务，乐队在现实中树立了重要的影响。

But he could still end up breakfasting on Swiss-government issue muesli because all six are accused of nicking around 45 million pounds they should have paid to FIFA.

不过他最后仍有可能沦为瑞士政府&议事餐桌&上的一道早餐，因为这所有六个人都被指控把本应支付给国际足联的大约4500万英镑骗了个精光。