氢键对羟基自由基与鸟嘌呤反应影响的理论研究

王英辉, 薛浩明, 马斌, 李宗璇, 马亚婷, 马蕾, 魏思敏

Theoretical Studies of Effect of Hydrogen Bond on Reaction of Hydroxyl Radicals and Guanine

WANG Yinghui, XUE Haoming, MA Bin, LI Zongxuan, MA Yating, MA Lei, WEI Simin

Fig.2 Optimized geometries of GGC and G(⁃H2)•⁃GC, the HOMO of GGC obtained at IEFPCM/M06⁃2X/6⁃31++G(d, p) level of theory Oxygen， nitrogen， carbon and hydrogen atoms are denoted with red， blue， gray and white balls， respectively. The unit of bond distance is nm.