- 更多网络例句与酮-烯醇互变异构相关的网络例句 [注:此内容来源于网络,仅供参考]
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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。
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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. The reaction enthalpies, activation energies, activation free energies and the rate constants of tautomerism were obtained.
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,获得了互变异构过程的反应焓、活化能、活化吉布斯自由能和质子转移反应的速率常数等性质。