基于密度泛函理论研究硫取代生物磷酰基转移反应中的动力学同位素效应
Kinetic isotope effects on thio-substituted biological phosphoryl transfer reactions from density-functional theory.
作者信息
Liu Yun, Lopez Xabier, York Darrin M
机构信息
Department of Chemistry, University of Minnesota, 207 Pleasant St. SE, Minneapolis, MN 55455, USA.
出版信息
Chem Commun (Camb). 2005 Aug 21(31):3909-11. doi: 10.1039/b502568k. Epub 2005 Jul 6.
DOI:10.1039/b502568k
PMID:16075068
Abstract
Primary and secondary kinetic and equilibrium isotope effects are calculated with density-functional methods for the dianionic methanolysis of the native (unsubstituted) and thio-substituted ethylene phosphates.
摘要
采用密度泛函方法计算了天然（未取代）和硫代取代的乙烯基磷酸酯双负离子甲醇解反应的一级和二级动力学及平衡同位素效应。
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