Subject: Visualizing Hybrid orbitals

From: Jeffrey J Gosper <[email-masked]>
Date: Thu, 20 Feb 1997 10:50:27 GMT

Dear all,

I would like to know whether it is possible (and how) to visualize hybrid 
molecular orbitals rather than the the 'standard set' using MOPAC/PSI88 (or 
other readily available software). I have tried to include the LOCALIZE 
keyword along with the GRAPH option in MOPAC. However the orbitals obtain 
through the GRAPH/PSI88 combination seems to be uneffected by the LOACAIZE 
keyword.

Any suggestions?
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 Dr. Jeff Gosper                                         
 Dept. of Chemistry                                     
 BRUNEL University                                     
 Uxbridge Middx UB8 3PH, UK                            
 voice:  01895 274000 x2187                            
 facsim: 01895 256844                                  
 internet/email/work:   [email-masked]     
 internet/WWW: http://www.brunel.ac.uk/~castjjg 
 Re_View's Home page (A molecular display/animation/analysis program):
   http://www.brunel.ac.uk/depts/chem/ch241s/re_view/re_view.htm
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