查询词典 tautomers

The results demonstrate that the platinum adducts influence moderately on tautomeric equilibrium, but do not change the relative stability of tautomers whether in gas phase or in aqueous solution.

结果表明：顺铂的键连引起了互变平衡的变化，但是各互变异构体之间的相对稳定性顺序并没有改变。

The influence of binding of cisplatin adducts on tautomeric equilibrium of guanine was investigated using quantum chemical method. The monoaqua adduct [Pt(NH3)2Cl(H2O)]＋and the diaqua adduct [Pt(NH3)2(H2O)2]2＋were chosen for coordination to the N(7) site of guanine tautomers.

使用量子化学MPW1PW方法，优化了顺铂键连到DNA碱基-鸟嘌呤及互变异构体N7形成的配合物的构型，同时用MP2方法计算其能量，以研究顺铂对鸟嘌呤互变异构作用的影响。

I A is more stable than B, and the two equivalent tautomers of 9-HPO can tautomerize through IHT. B is the transition state for IHT of 9-HPO. ii B was in a symmetrical plane. The charge of hydrogen and molecular dipole moment of B are higher than that of A, so the IHT rate will be accelerated in polar solvents.

另一方面IHT也使此类分子表现出某些优异的物理化学特性，比如：具有IHT的羟基艺北醌类化合物可以用作光疗药物，用于治疗肿瘤、爱滋病等顽症，还有望成为光电转换的新材料[2 ] 。

The reaction mechanisms of tautomers of 5-substituted 1,2,3-triazoles were also studied.

目前对1，2，3，-三唑的研究，均未涉及溶剂化效应和反应机理的研究[2-6]。

The geometrical and electronic structure of the tautomers of 5-substituted 1,2,3-triazoles and their transition states were obtained.

三唑类化合物由于在农药、医药和含能材料方面的广泛应用，受到人们的关注。

he conformational properties of 6 possible tautomers of 5-fluorouracil or 5-chlorouracil were studied by using HF/3-21G method.

采用HF/3-21G方法，对6种气相和水相中可能存在的5-氟尿嘧啶(和5-氯尿嘧啶)互变异构体进行了构象分析。

When pH value increases, the concentration of dianion, which has the largest value of σ_p and φ in all tautomers, gradually increases in the solution.

随着pH值的增大，溶液中双价阴离子的浓度逐渐增大。而双价阴离子的σ_P和φ值为最大。

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

溶剂化自由能与异构体的气相偶极矩存在相关性。

The conformational properties of 6 possible tautomers of 5-fluorouracil or 5-chiorouracil were studied by using HF/3-21G method.

采用HF/3-21G方法，对6种气相和水相中可能存在的5-氟尿嘧啶（和5-氯尿嘧啶）互变异构体进行了构象分析。

Detailed Intrinsic Reaction Coordination calculations were carried out to guarantee the optimized transition-state structures being connected to the related tautomers.

同时，做了详尽的内禀反应坐标计算，以保证所得到的过渡态连接相应的始末异构体。

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！