3 Questions 12 Answers 0 Followers
Questions related from Chin-Hung Lai
Does anyone know how to consider the intra-molecular basis set superposition error of conformers for a molecule if I use Gaussian 09?
03 March 2015 7,435 6 View
Dears all: Recently, I did two bond energy decomposition analyses using ETS-NOCV in ADF. However, I was really confused with the results. The analyses show that the total orbital interaction...
08 August 2014 10,057 6 View
Recently, I calculated several isomers of a reactant. Moreover, I calculated the analogous reactions of them. Form my calculated results, the symmetry of the corresponding product is lowered as...
09 September 2013 5,717 2 View