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Analytical derivatives, π bonding and d–s mixing in the ligand field molecular mechanics method

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Department of Chemistry, University of Warwick, Conventry, UK
E-mail: r.j.deeth@warwick.ac.uk;
Fax: 44 (0)24 76524112 ;
Tel: 44 (0)24 76523187
Phys. Chem. Chem. Phys., 2002,4, 4292-4297

DOI: 10.1039/B203815C
Received 19 Apr 2002, Accepted 18 Jul 2002
First published online 12 Aug 2002
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