A Theoretical Study of Proton-Transfer Reaction of Benzanilide ⅰ . The cis trans Tautomerization and Dimerization of Amide and Imidic Acid

苯甲酰苯胺激发态质子转移反应的理论研究Ⅰ.酰胺、亚胺酸的顺、反 异构和二聚

The mechanism of the tautomerization of nitromethane to formaldoxime in aqueous solution has been investigated at the level of B3LYP / 6-311 + + G using the supramolecular / continuum model .

采用超分子-连续介质（PCM）模型，在密度泛函B3LYP/6-311++G水平上对水溶液中 亚硝基甲烷 异构化 反应的机理进行了理论研究。

In addition it was found that under irradiation the main process of the excited state of these compounds is azo-cis / trans isomerization reaction rather than tautomerization .

此外，工作中还发现：羟基喹啉偶氮化合物在光照下存在着以偶氮顺-反 异构化反应为主的变化过程。

Theoretical Study on Reaction Mechanism of Tautomerization of Indazole and 3-halogeno-indazole

吲唑、3-卤代吲唑 互变 异构反应机理的理论研究

Intramolecular hydrogen bonding ⅳ . intramolecular hydrogen bonding of condensed aromatic chelating agents and their tautomerization

分子内氢键Ⅳ.稠环芳香螯合剂的内氢键和 互变 异构

Theoretical Studies on Tautomerization and Electronic Spectra of Salicylanilide

水杨酰苯胺的 异构化及电子光谱的理论研究

Theoretical calculations on the tautomerization of five tetrazole derivatives are performed with MNDO MO method .

运用MNDOMO法对五种四唑衍生物的 互变 异构 反应进行了理论计算。

Theoretical Study of the Tautomerization Between Benzaldoximes and Their Polar Tautomers

苯甲醛肟偶极 互变 反应的理论研究

Study on the Keto-enol Tautomerization of 4-hydroxyphenylpyruvic Acid by High Performance Liquid Chromatography

高效液相色谱法研究对羟基苯丙酮酸烯醇-酮式 互变 异构动力学

The kinetic process of tautomerization of 1H-ANTA to 2H-ANTA has been studied in the temperature scope of 300K to 1000K for the first time .

首次在300～1000K温度范围内研究了 1H-ANTA和2H-ANTA相互转换的动力学过程。

DFT studies on the tautomerization of 1 and 5-halogeno-1

5-卤代1，-三唑 互变 异构的密度泛函理论研究

The peptide plays a vital role in biological systems and the tautomerization of the peptide unit is important for the determination of structures and functions of biological molecules .

肽在生物体系中起着十分重要的作用。肽单元的 互变 异构 平衡 现象决定着 许多生物分子的结构和功能。