Electronic structures and chemical bonding in 4d transition metal monohalides. - Lin Cheng 003; M. Y. Wang; Zhijian Wu; Zhong-Min Su (J. Comput. Chem., 2007)

Density functional study on the reaction mechanism of palladium-catalyzed addition of cyanoboranes to alkynes. - M. Y. Wang; Lin Cheng 003; Zhijian Wu (J. Comput. Chem., 2008)

Reaction mechanism of palladium-catalyzed silastannation of allenes by density functional theory. - Meiyan Wang; Lin Cheng 003; Bo Hong; Zhijian Wu (J. Comput. Chem., 2009)

Mechanism of methylacetylene bisselenation catalyzed by palladium complex from density functional study. - Meiyan Wang; Lin Cheng 003; Jinping Wang; Zhijian Wu (J. Comput. Chem., 2011)