How to plot CD spectra ?


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Forum Regular
10:44:14 PM PDT - Tue, Oct 16th 2012
Hi,

You should be able to modify the CD spectrum toolkit from Jochen Autschbach's website to process the NWChem output.

http://ja01.chem.buffalo.edu/~jochena/downloads/downloads.html#cdspectra-toolkit

Let me know if there are any issues.

Best,
-Niri