D.k. Andrew Prasanna Kumar

2 Questions 2 Answers 0 Followers

Questions related from D.k. Andrew Prasanna Kumar

How do you convert theoretical IR values from Gaussian 03 computational software to transmission vs. frequency?

I have theoretical IR values (i.e. frequency vs. epsilon or intensity) from Gaussian 03 computational software. I have seen in many journals (for example, the Journal of Spectrochimica) that they...

10 March 2014 8,421 1 View

How can I convert epsilon to transmission or absorbance in IR spectra from Gaussian09 to compare with experimental IR spectra?

From gaussian output file. I have only in epsilon.

09 March 2014 196 13 View