CCL: prediction of fluorescence?

 Sent to CCL by: "Jim Kress" [ccl_nospam|*|kressworks.com]
 ORCA provides excellent tools that will allow calculation of UV/ Vis
 spectra, including fluorescence.
 Jim
 > -----Original Message-----
 > From: owner-chemistry+ccl_nospam==kressworks.com .. ccl.net
 > [mailto:owner-chemistry+ccl_nospam==kressworks.com .. ccl.net] On Behalf
 > Of Victor M Rosas-Garcia rosas.victor|gmail.com
 > Sent: Monday, April 30, 2012 5:44 PM
 > To: Kress, Jim
 > Subject: CCL: prediction of fluorescence?
 >
 >
 > Sent to CCL by: "Victor M Rosas-Garcia"
 [rosas.victor/./gmail.com] Hello
 > everybody,
 >
 > I was recently approached by a colleague, asking me if I could predict
 > fluorescent behavior of a molecule. I understand that TD-DFT can be used
 for
 > calculating excited states and things like UV-vis spectra, after a cursory
 > review of the literature I have found some papers dealing with calculation
 of
 > excited states of fluorescent molecules, but as far as predicting if a
 molecule
 > will *actually* fluoresce, I don't know how to calculate this, or even if
 it is
 > possible.
 > The species of interest are around 300 amu, so probably I will not be able
 to
 > do some super-duper cc-pV5Z calculations or the like.
 >
 > Any pointers?
 >
 > VictorTo
 > recover the email address of the author of the message, please change the
 > strange characters on the top line to the  ..  sign. You can also look up
 the
 X-
 > Original-From: line in the mail header.>