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Feature Article

Extending the reliability and applicability of B3LYP

Igor Ying Zhang,a   Jianming Wua and   Xin Xu*a  
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a
State Key Laboratory of Physical Chemistry of Solid Surfaces, College for Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China
E-mail: xinxu@xmu.edu.cn
Chem. Commun., 2010,46, 3057-3070

DOI: 10.1039/C000677G
Received 11 Jan 2010, Accepted 02 Mar 2010
First published online 07 Apr 2010
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