Chin-Hung Lai

3 Questions 12 Answers 0 Followers

Questions related from Chin-Hung Lai

How do I make a calculation considering IBSSE?

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 7,434 6 View

How to interpret ETS-NOCV results?

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 10,055 6 View

Is there a relation between the activation energy with respect to the symmetry of a reactant?

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 5,715 2 View