Computational mechanistic investigation of radiation damage of adenine induced by hydroxyl radicals<xref rid="cpb_27_2_027102_fn1" ref-type="fn">*</xref> <fn id="cpb_27_2_027102_fn1"> <label>*</label> <p>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).</p> </fn>

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 Rongri^{1, 2, †}, Liu Huixuan¹, Xun Damao¹, Zong Wenjun¹

(color online) The relative free energy profiles of RS, RC, TS, and PC in gas phase for the dehydroxylation of Ade at C2, C8, and N6 sites at B3LYP/6-311++G(d,p) level.