Author/Authors :
Gu، نويسنده , , Jiande and Wang، نويسنده , , Jing and Leszczynski، نويسنده , , Jerzy and Xie، نويسنده , , Yaoming and Schaefer III، نويسنده , , Henry F.، نويسنده ,
Abstract :
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.