查询词典 tautomers

It was found that the effect of hydrogen bonds played an important role in increasing the stabilities of 2,6-dithiopurine hydrated tautomers and lowering the activation energies of proton transfer.

计算结果还表明，氢键作用在增大2，6-二巯基嘌呤氢键一水合物稳定性、降低质子转移异构化反应活化能等方面起着重要的作用。

The free energy of solvation is well correlated with the dipole moments of 5-fluorouracil and 5-chlorouracil tautomers.

另外， 详细地将5-氟尿嘧啶和5-氯尿嘧啶与尿嘧啶进行了对比，获得三者最稳定异构体间电子结构异同的有用信息。

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，2，6-二巯基嘌吟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。

The estimated tunneling probability of the H13 proton from one well to another well shows that the life time of the proton staying in one of these wells is about 6×10^2 a. It is too long to let tautomers of cytosine be in thermodynamical equilibrium in a room temperature gas phase experiment.

估算出的H13质子从一个势阱到另一个势阱的穿透几率表明质子呆在其中一个势阱中的寿命大约是6×10^2 a，这使胞嘧啶和它的顺式亚胺式互变异构体在室温气相实验中远不能达到热平衡。

So the 2-pyridone adduct tautomers are easy to separate and identify by GC/FTIR.

氧位加合物与氮位加合物之间，红外光谱差别十分明显，容易区分。

The conformational analysis of the various tautomers of clonidine in both neutral and protonated forms have been investigated using HF/6-31G* method.

采用HF/6-31G*方法，对氨基型和亚胺型可乐定中性分子以及质子化的可乐定分子进行了构象分析。

So the 2-pyridone adduct tautomers are easy to separate and identify by GCFTIR.

氧位加合物与氮位加合物之间，红外光谱差别十分明显，容易区分。

Different from the primary pyrolysis procedure of pyrrole with the complex tautomers the initial precursors of the major pyrolysis products are simple and the corresponding pathways are more distinct.

与吡咯热解初期的形成的复杂异构体不同的是，吡啶热解的主要产物前驱体相对单一，热解产物为母体脱氢的吡啶自由基、母体脱氢开环链状自由基和母体直接开环的产物。

All the molecular complexes, obtained by the interaction between several low-lying tautomers of RNA nucleic acid and Ca^＋ on the different binding sites, were considered.

通过考虑Ca^＋作用于RNA碱基互变异构体的不同位置，获得了所有稳定的复合物。

The preference conformations of 10 possible tautomers of 5-fluorocytosine were calculated by the BH-HLYP/6-311+G(superscript **) method, in both the gas and aqueous phases, with full geometry optimization.

采用BH-HLYP/6-311+G方法对10种气相和水相中可能存在的5-氟胞嘧啶互变异构体进行了几何全优化，并计算出它们的总能量和吉布斯自由能。

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！