Shen, J., Li, S.* "Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states" J. Chem. Phys. 131, 174101 ( 2009)   PDF

Li, W., Piecuch, P.*, Gour, J., Li, S."Local correlation calculations using standard and renormalized coupled-cluster approaches" J. Chem. Phys. 131, 114109 ( 2009)   PDF

Ouyang, Y., Liang, Y.*, Li, S., Luo, X., Zhang, L., Tang, Z., Xu, X. " Interpretation of the characteristic fragmentation mechanisms through determining the initial ionization site by natural spin density: A study on the derivatives of tryptophan and tryptamine" Int. J. Mass Spectrom. 286, 112 ( 2009)   PDF

Zeng, G., Guo, Y., Li, S.* "H2 activation by a (PNP)Ir(C6H5) complex via the dearomatization/aromatization process of the PNP ligand: A computational study" Inorg. Chem. 48, 10257 ( 2009)   PDF

Tao, J., Guo, Y., Li, S.* "Understanding the role of the bifunctional titanium catalyst in cyanosilylation of ketones: A computational study" J. Mol. Struct.: THEOCHEM 899, 61 ( 2009)   PDF

Dong, H., Hua, S., Li, S.* "Understanding the Role of Intra- and Inter-molecular Interactions in the Formation of Single- and Double-Helical Structures of Aromatic Oligoamides: A Computational Study" J. Phys. Chem. A 113, 1335 ( 2009)   PDF