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Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis

Haigang Lu,*a   Dadi Dai,b   Pin Yanga and   Lemin Lic  
Corresponding authors
Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Institute of Molecular Science, Shanxi University, Taiyuan, Shanxi, China
Fax: 86-351-7011022
Tel: 86-351-7011022
Department of Chemistry, North Carolina State University, Raleigh, USA
College of Chemistry and Molecular Engineering, Peking University, Beijing, China
Phys. Chem. Chem. Phys., 2006,8, 340-346

DOI: 10.1039/B511516G
Received 17 Aug 2005, Accepted 20 Oct 2005
First published online 14 Nov 2005
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