|Posted on Wednesday, December 17, 2008 - 1:43 am: |
Hi, WebMO developers,
I wondered if WebMO Pro or Enterprise offers this function (would be very useful):
After calculating UV-Vis via WebMO Pro or Enterprise,
and when user clicks some parts of a UV spectrum graph in the Spectrum Viewer,
WebMO Pro/Enterprise shows and emphasizes the corresponding molecular orbit
which absorbs it.
Post Number: 64
|Posted on Wednesday, December 17, 2008 - 9:58 am: |
WebMO does not offer this feature, as the concept that you are suggesting is not entirely well defined. A UV-Vis absorption does not necessary correspond to an transition into one particular molecular orbital.