查询词典 intramolecular

In salt solution, because of the role of ionic charge, so that intramolecular hydrophobic chain to enter into force enhancement, molecular chain contraction, so value continued to drop.

在盐溶液中，由于离子电荷的作用，使疏水链节分子内缔合力增强，分子链收缩，因而值也持续下降。

There is no close relationship between the electronic property of the substituent and the value of β, indicating that an effective intramolecular charge-transfer from D to nitro group does not exist.

测试结果发现，这些化合物的β值为10^-^2^9esu数量级，其数值大小与取代基D的电子性质并无直接的关系，表明从D到NO2并未发生有效的分子内电荷转移。

These processes include an intramolecular cleavage, covalent addition of cholesterol and/or palmitate, and conversion into a multimeric freely diffusible form.

这些加工修饰包括分子内裂解，胆固醇和/或棕榈酸的共价修饰以及自由扩散形式的多聚体的形成等。

The interaction between CaA and Cu and influence of ethylenediaminetetraacetic acid,solvent and pH on the interaction were also studied to help elucidate the detailed prooxidant mechanism using UV-visible spectroscopy, demonstrating that it is CaA phenolate anion,instead of the parent molecule,chelates with Cu as a bidentate ligand,hence facilitating intramolecular electron transfer between CaA and Cu.

可见分光光度计研究了CaA和Cu的相互作用以及EDTA、溶剂、pH对这种相互作用的影响，证实了CaA本身没有与Cu螯合，而是咖啡酸酚氧负离子作为双齿配体与Cu进行螯合，形成的络合物有利于分子内电子转移。

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。

This is a reasonable method to investigate real polymer systems. The semiflexible model can capture the main features of aPS, and can semi-quantitatively describe the intermolecular correlation function, intramolecular correlation function, solubility parameters and x-ray scattering intensity for real aPS melt.

该模型能够抓住复杂的无规聚苯乙烯熔体的主要结构信息，可以半定量的描述各种条件下无规聚苯乙烯熔体的分子间相关函数、分子内相关函数、溶解度参数和x-光散射强度等结构和热力学性质，并得到了MD数据和实验数据的支持。

These results give the evidence about the intramolecular charge transfer character in the emitting singlet state of this compound.

用Lippert-Mataga方程计算了该化合物基态和激发态偶极矩间的差值。结果证明该化合物在激发态存在着强烈的分子内电荷转移行为。

The synthesis of the pentacyclic skeleton of Et-743 and the construction of the five chiral centers thereof.1. The core pentacyclic skeleton of phthalascidin was constructed with L-dopa as the starting material via thirteen steps. First, two basic synthons, the C-1 functionalized tetrahydroisoquinoline compounds 8 and N-protected Z-dopa derivative 9, were prepared from L-dopa. They were coupled via amide bond to form the dipeptide compounds 10, which were the first key intermediates. Then the primary hydroxyl groups were transformed into the corresponding amino aldehydes 11 via Swern oxidation. Followed by the intramolecular Pictet-Spengler cyclization, the pentacyclic compounds 12 were synthesized.

五环骨架的构建及五个正确手性中心的确立：1.1我们以L-多巴为起始原料，经过多步官能团保护和转化合成了基本结构单元8然后和苯丙氨酸衍生物9，通过缩合反应生成酰胺中间体10，经Swern氧化得到醛化合物11，然后再次利用分子内改良的Pictet-Spengler反应一步构建c，d两环，得到五环骨架化合物12，最后，实现了21-位羰基向氰基的转化，得到了C-1位官能化的化合物14，化合物14不但具有和Et-743一致的五环骨架，而且分子中五个手性中心立体构型也与其完全相同：其中，3，位和13，位的手性中心由原料L-多巴带入，而1，位，11，位和21，位手性中心则通过不对称诱导而确立。

And then different kinds of intramolecular N-H…O=C hydrogen bonding energies for peptides were evaluated by the substitution method.

在说明取代法的合理性后应用此方法计算α-和β-多肽结构中不同类型的N-H…O=C分子内氢键键能。

In this paper, a method was proposed to evaluate the intramolecular N-H…O=C hydrogen bonding energies for peptides. The reasonability of the substitution method was explained.

本论文的主要研究任务是设计一种能够计算多肽和蛋白质体系中N-H…O=C分子内氢键键能的新方法。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。