Subject: IR frequencies & Intensities

From: [email-masked] (Carles Bo)
Date: Wed, 18 Feb 1998 17:17:05 +0100 (MET)

Dear CCLers:
  
  Does anybody has at hand references on calculated IR intensities
  by ab initio/DFT methods compared to experimental ones ?
   
  We are interested in systems containg transition metals and
  carbonyls, but any information will be appreciated.

  Regards,
         
  Carles
  
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  Carles Bo
  Dept. de Quimica Fisica i Inorganica
  Universitat Rovira i Virgili          Voice (34) (77) 55 95 69
  Pl. Imperial Tarraco, 1               FAX   (34) (77) 55 95 63
  43005 - Tarragona
  SPAIN                         http://www.quimica.urv.es/~w3qfi
                   http://www.quimica.urv.es/cgi-bin/card?bo+qfi
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