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

Gu JD; Wang J; Leszczynski J; Xie YM; Schaefer HF

Chemical Physics Letters, Vol.473, No.1-3, 209-210, 2009

DOI10.1016/j.cplett.2009.03.055 Export Citation

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

Gu JD, Wang J, Leszczynski J, Xie YM, Schaefer HF

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. (C) 2009 Elsevier B.V. All rights reserved.