查询词典 tautomers

These results show that the dual fluorescence of 4-AHBO (5-AHBO) is produced by its different tautomers, hut not by the same isomer: the long wavelength emission is from the keto tautomer, and the short wavelength band is produced by four kinds of enol isomers.

结果表明，4-AHBO(5-AHBO)的双荧光不是由同一种异构体发射的，而是来源于不同异构体的发射：长波区的荧光由酮式构型发射，短波区的发射则可能由四种醇式异构体共同产生。

It was shownthat, among the three possible tautomers; i.e., the keto-form and the two enol forms, and thecorresponding enol anion, only the enol form 31 was actually responsible for the singletoxygen reactions.

用核磁共振及从头算法研究了化合物12b和23a在甲醇和吡啶中的烯醇化作用，结果表明，在其三种互变异构体以及相应烯醇负离子中，只有烯醇式31是实际参与单重态氧反应的成份。

By studying the absorption spectra, we have verified the existence of various tautomers of sodium fluorescein in ethanol solution.

通过对其吸收光谱的研究，证明荧光素钠在乙醇溶液中存在多种互变异构体。

Molecular structures of fourteen 6-thioxanthine tautomers were calculated by the B3LYP/6-311G** method, both in gas and aqueous phases, with full geometry optimization. The Onsager solvate theory model was employed for aqueous solution calculations.

在密度泛函B3LYP/6-311G**水平下，对14种气相和水相中可能存在的6-硫代黄嘌呤异构体进行了几何构型的全自由度优化，并计算出它们的总能量、焓、熵、吉布斯自由能。

The results showed that the dithione R is the most stable tautomer of all the tautomers in the form of isolated or hydrated isomers.

计算结果表明， 2，6-二巯基嘌呤无论是孤立分子还是一水合物，其二硫酮式R是最稳定异构体。

Based on the fact that the stable tautomer of NTBC by calculation is different from that from X-ray experiment, the quantitative structure-activity relationship (Comparative Molecular Field Analysis, CoMFA and Comparative Molecular Similarity Index, CoMSIA) were studied on the five possible active tautomers in order to conjecture the structure of NTBC binding with HPPD.

基于理论计算得到的NTBC的稳定异构体结构与实验观测结构不一致的事实，利用比较分子力场和比较分子相似性指数的分析方法对NTBC可能存在的五种活性结构分别进行了三维构效分析，最终由CoMFA分析得到的最佳模型所对应的NTBC的活性结构与动力学实验推测的结合模式相吻合。

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 B3LYP/6-31G** calculations on the tautomerism of clonidine in an aqueous medium using Onsager solvation theory model have shown that the solvent does not change the relative stability of the individual tautomers of this drug and the neutral molecule of clonidine exists as the more stable imino tautomer in the gas and aqueous phases.

Onsager反应场溶剂模型用于水相的计算。

The ground-state structures of 8 tautomers of cytosine were fully optimized at B3LYP/6-311+G(superscript **) level, and the tautomerism of 6 relatively stable tautomers of cytosine was studied.

用该方法对胞嘧啶分子的8种异构体构型进行了充分优化，研究了其中能量较低的6种胞嘧啶异构体的互变异构化过程。

For the isolated Uracil, the shift of the appropriate hydrogen atoms can generate many different tautomers. Moreover, theoretical studies demonstrate that some tautomers of Uracil possibly result in the mispair of nucleic acid base pairs.

通过氢原子的转移，脲嘧啶可以产生许多互变异构体，而且研究表明它的一些互变异构形式可能会导致碱基的错配。

She gently rebuff ed him, but agreed that they could be friends

她婉言拒绝了，但同意作为朋友相处。

If in the penal farm, you were sure to be criticized.

要是在劳改农场，你等着挨绳子吧！