Xin Xu,* Qingsong Zhang, Richard P. Muller, and William A. Goddard III* ‘An Extended Hybrid Density Functional (X3LYP) with Improved Descriptions of Nonbond Interactions and Thermodynamic Properties o

Xin Xu,* Qingsong Zhang, Richard P. Muller, and William A. Goddard III* ‘An Extended Hybrid Density Functional (X3LYP) with Improved Descriptions of Nonbond Interactions and Thermodynamic Properties of Molecular Systems’, J. Chem. Phys., 122 (2005) 014105.