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Paper

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

Haigang Lu,*a   Dadi Dai,b   Pin Yanga and   Lemin Lic  
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a
Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Institute of Molecular Science, Shanxi University, Taiyuan, Shanxi, China
E-mail: luhg@pku.org.cn.;
Fax: 86-351-7011022 ;
Tel: 86-351-7011022
b
Department of Chemistry, North Carolina State University, Raleigh, USA
c
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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