查询词典 tautomerism

The investigation into simulation and experiment of IR spectra indicates that there exists no azido-tetrazole tautomerism in solid DAT.

计算模拟IR光谱和实测IR光谱的对比表明DAT在固态下不发生叠氮-四唑互变异构反应。

15K. It is shown that two main factors, pressure and the polarity of the mixture, influence the EAA tautomerism.

结果表明，EAA的酮式-烯醇式异构化平衡常数随共溶剂极性的增加而减小。

The tautomerism of neutral cytosine in gas phase was investigated byB3LYP/6-311+G** method.

利用密度泛函理论的B3LYP/6-311+G~方法，研究了胞嘧啶分子的互变异构化现象。

Secondly, comparative experiments were carried out in different phase regions to probe the influence of pressure and the phase behavior of the mixed solvents on the tautomerism.

将紫外光谱及热力学方法相结合，测定了CO〓+乙醇、CO〓+正戊烷混合流体中EAA的异构化平衡常数，研究了超临界区、临界区和亚临界区EAA的异构化平衡常数随压力等因素的变化规律。

Key Laboratory of Computer Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences.Shanghai(200032)Abstract : The most usual problems encountered in the structure handling are tautomerism, alternating and aromatic systems. Though a number of methods have been reported in the literature, a common disadvantage is that only the convenience for processing were taken into account, but their chemical sense was rarely considered.

化学结构计算机处理中最常遇到的困难是互变现象、交替键和芳香键的处理，尽管解决这些问题的方法早有报道，但它们都有仅考虑计算机处理的方便，而很少注意其化学应用的不足。

The reaction mechanism of thione-thiol tautomerism for 2,6-dithiopurine obtained from proton transfer has been investigated by DFT B3LYP method with 6-311 ＋G basis set.

采用密度泛函B3LYP方法，在6-311＋G基组水平上对2，6-二巯基嘌呤质子转移引起的硫醇式与硫酮式互变异构反应进行了计算研究。

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。

UV-Vis spectra were measured in weak acidity, neutrality and weak base, the absorption spectra were changed with a large red shift in weak base because of intramolecular charge transfer and azophenol-quinone tautomerism.

并且测量了它们在弱酸性，中性和弱碱性条件下的紫外吸收光谱，讨论了吸收光谱与分子结构之间的关系，认为分子内的电荷转移和醌式互变是碱性条件下吸收光谱发生明显变化的根本原因。

In poly the chain scission is based on the ozone oxidation of the alcoholic groups of PVAL with formation of ketone groups which in turn are the source of a ketoeenol tautomerism which leads to random chain scission by further ozone attack.

聚乙烯醇的乙醇基在臭氧的氧化作用下形成酮基，并依次成为酮烯醇互变异构现象的源头，在臭氧的进一步攻击下导致链无规则断裂，从而产生断链作用。

Understand keto-enol tautomerism, reactivity of enolate ions.

A5 E3J3 了解酮－烯醇互变异构性，烯醇离子的反应性。

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！