Computational mechanistic investigation of radiation damage of adenine induced by hydroxyl radicals*

Project supported by the National Natural Science Foundation of China (Grant Nos. 11564015 and 61404062), the Research Fund for the Doctoral Program of China (Grant No. 3000990110), and the Fund for Distinguished Young Scholars of Jiangxi Science & Technology Normal University (Grant Nos. 2015QNBJRC002 and 2016QNBJRC006).

Tan Rongri1, 2, †, Liu Huixuan1, Xun Damao1, Zong Wenjun1
       

(color online) Potential energy surface scanning at the B3LYP/6-311++G(d,p) level when an adenine is attacked by an ·OH free radical in gas phase.