Subject: Re: CCL:visualizing HOMO/LUMO with Gaussian98W

From: Jamie Platts <[email-masked]>
Date: Thu, 7 Nov 2002 08:18:56 +0000 (GMT)

Hi Connie - you might like to try out Molekel, available from

http://www.cscs.ch/molekel/  

or Molden

http://www.cmbi.kun.nl/~schaft/molden/molden.html

both of which produce very nice graphical outputs of orbitals, potentials,
and other properties. Molden is also a nice way of keep track of
optimisations, frequencies etc.

  Regards,

  Jamie

----------------------------------------------------------
  Jamie Platts 							 
  Dept. of Chemistry  		Phone: +44 (0) 2920 874950		 
  Cardiff University 	 	Email: [email-masked]		 
  P.O. Box 912 			FAX:   +44 (0) 2920 874030		 
  Cardiff CF10 3TB 		www.cf.ac.uk/chemy

> Hi all --
> 
> Is there a way to plot the shape of the HOMO and LUMO level using
> Gaussian98W?
> 
> thanks,
> connie
> 
> 
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