Subject: MM for Transition Metal Cpds

From: [email-masked] (Bersuker)
Date: Tue, 11 Jan 94 14:59:25 CST

Dear Dr. Cundari:
d**0 is not much easier than d**n in TM cpds. In particular, there may be a 
strong pseudo Jahn-Teller and other vibronic effects; in BaTiO3,for instance,
they result in ferroelectricity (see my book by Plenum, 1984, or Springer, 1989)I worked out a method of molecular modeling for TM systems; it might be 
interesting to discuss this problem in more detail
Regards

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Isaac B. Bersuker		 | E-mail: 
Dept. of Chemsitry	         | [email-masked]
Univeristy of Texas at Austin    | Vox: (512) 471-4671
Austin, TX 78712 	         | Fax: (512) 471-8696
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