D.k. Andrew Prasanna Kumar

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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 8,412 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 189 13 View