We did optimized some Bx clusters. Please see
 
H.-J. Zhai, K. Boggavarapu, J. Li, L.-S. Wang, "Hydrocarbon Analogs of Boron Clusters: Planarity, Aromaticity, and Antiaromaticity", Nature Materials 2003, 2, 827 - 833.

 
Jun Li

----------------------------------------------
Jun Li, PhD, Senior Research Scientist II
MS K8-91, P.O. Box 999, 3335 Q Avenue
Environmental Molecular Sciences Laboratory
Pacific Northwest National Laboratory
Richland, Washington 99352
Tel: (509)376-4354 (O)
Fax: (509)376-0420 (O)
E-mail: jun.li_at_pnl.gov
Web: http://emslbios.pnl.gov/id/li_j
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        -----Original Message-----
        From: owner-adf-list_at_scmserver.chem.vu.nl [mailto:owner-adf-list_at_scmserver.chem.vu.nl] On Behalf Of DCC9000
        Sent: Thursday, May 26, 2005 8:55 AM
        To: adf-list_at_scm.com
        Subject: ADF-LIST: A question about geometry optimization.
        
        
        Hello:
        Does anyone has experience in geometry optimization of Boron compounds with ADF (DZP+BP)?.
        I have some trouble and I will appreciate any help.
        Thanks.
        Juan S. Gómez-Jeria
        University of Chile
        Faculty of Sciences
         
Received on 2005-05-26 18:23:57