Reply to Comment on To stack or not to stack: Performance of a new density functional for the uracil and thymine dimersChem. Phys. Lett. 459 (2008) 164

摘要：

In this Letter, we want to address that the conclusions of the letter by Gu et al. have been misunderstood by Mourik in the comment. In our Letter (CPLETT-08-419R1), the good performance of the new functional M06-2X is concluded based on the comparison with the results based on the CCSD(T) studies. Also, we confirm here our previous assumption related to the nature of the stationary points on the MP2 potential energy surface.

作者: Jiande Gu Jing Wang Jerzy Leszczynski Yaoming Xie Henry F.Schaefer Ⅲ

作者单位: Drug Design & Discovery Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Interdisciplinary Nanotoxicity Center, Department of Chemistry, Jackson State University, Jackson, M Center for Computational Quantum Chemistry, University of Georgia Athens, GA 30602-2525, USA

会议类型: 国际会议

会议名称: The 5th International Conference of Molecular Simulations and Applied Informatics Technologies(第五届国际分子模拟与信息技术应用学术会议 ICMS&I)

会议地点: 武汉

会议语种:英文

页码: 718-719

在线出版日期: 2010-09-01（万方平台首次上网日期，不代表论文的发表时间）