查询词典 tautomeric

The results show that the effects of pressure on tautomeric equilibrium constant K〓 is very limited at pressures much higher than the phase separation pressures, while the K〓 increases sharply as the pressure approaches the critical pressure or the bubble point pressure of the mixed solvents.

结果发现，在分相点附近化学平衡常数随压力变化十分敏感，这一特殊现象与混合流体中特殊的分子间相互作用与聚集密切相关。

Comparisons between the experimental and computational IR spectra clarify the difference of the open- and closed-ring isomers, which indicate that it is possible to identify the tautomeric form of this diarylethene derivative using a highly selective infrared absorption band and the strong absorption at 1 705 cm-1 of the ring-closed isomer can be used in non-destructive readout by IR light.

通过红外吸收光谱表征了该光致变色二芳基乙烯衍生物在溶液中开、关环前后结构的变化，并采用理论化学计算方法研究了该化合物开、关环异构体的红外吸收振动特性。光致变色异构化过程可以通过红外吸收光谱的变化而识别。关环异构体在1 705 cm

The total energy, standard enthalpy, standard entropy and standard free energy were obtained. The calculations show that 5-fluorouracil and 5-chlorouracil existing as the dione forms are the predominant isomers in the gas and aqueous phases. The entropy effect on the Gibbs free energy of 5-fluorouracil and 5-chlorouracil is very small and there is little significance for the tautomeric equilibria.

Onsager反应场溶剂模型用于水相的计算计算结果表明，5-氟尿嘧啶和5-氯尿嘧啶在气相中和水相中主要以双酮形式存在5-氟尿嘧啶和5-氯尿嘧啶的熵效应小，对互变异构平衡没有显著的影响，而焓变对互变异构产生了主要的影响。

The calculations of harmonic vibrational frequencies with B3LYP/6-31Gtheoretically supported that o-dinitrosobenzene is the intermediate of "self-self"tautomeric rearrangement of benzofuroxan.

谐振动频率的B3LYP/6-31G计算还支持了邻二亚硝基苯为苯并氧化呋咱&自-自&互变重排反应的中间体。

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。

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！