conformer

An active conformer of the imidazolinone compounds has been obtained by adopting different conformational search methods.

从三维角度出发，采取不同的构象搜索方法得到了咪唑啉酮类化合物分子的活性构象。

The results show that the atom H at C ( 2) is β-H, so the absolute configuration of the compound is the S conformer.

由计算结果推测该化合物分子结构中C（2）上的H在β位，即C（2）的绝对构型为S型。

The compound's conformation of P2 was researched to make use of dynamic NMR and chemical calculation. The result found there were two kinds of different conformer isomers by dynamic NMR.

利用dynamic NMR和化学计算对改造后的葛根素衍生物P2进行了构象研究，结果发现改造后的化合物都存在两种不同的构象异构体。

The bias of marginal dose and GTV mould were evaluated by analyzing the process of conforming GTV mould and manual multi-leaf conformer ( MLC).

分析手动多叶光栅（MLC）摆位及GTV模具制作过程，计算GTV模具误差及边缘剂量误差。

The GG conformer is the most stable, and the AG conformer is the second.

在计算的各种理论水平下，GG构象是最稳定构象，AG构象次之。

Conformer Study on 18-Crown-6

18-冠醚-6的构象研究

However, met-II obeys the concurrent two-sites model during polymerization, which can be attributed to the existence of "racemic-like" conformer in its system.

然而，催化剂met-Ⅱ在聚合过程中遵循双活性中心模型，可推测在催化剂met-Ⅱ体系中，有较为稳定的类外消旋体构象的存在。

The most important results are: ( 1) On the ground state, the barrier of HMB's IPT is only 20.0180 kJ/ mol ( for versa conformer) and 37.9819 kJ/ mol ( for parallel conformer), so the rate of IPT is fast.

本研究主要结论：（1）基态时HMB的IPT势垒只有20.0180kJ/mol（反式）和37.9819kJ/mol（顺式），分子中存在着快速的IPT。