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September 18, 2019

UV absorption spectrum and emphasizin... Log Out | Topics | Search
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WebMO Support Forum » Feature Requests » UV absorption spectrum and emphasizing corresponding molecular orbit « Previous Next »

Author Message
Watanabe
Unregistered guest
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.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 64
Registered: 11-2006
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.

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