Xu, E.; Li, S* "Block correlated second order perturbation theory with a generalized valence bond reference function." J. Chem. Phys. 139, 17411 (2013).  PDF

Xu, L.; Li, S* "Mechanistic Insight on the Diels-Alder Reaction Catalyzed by a Self-Assembled Molecular Capsule" J. Org. Chem. 78, 3577 (2013).  PDF

Xu, L.; Hua, S.; Li, S* "Insight into the reaction between a primary amine and a cavitand with an introverted aldehyde group: an enzyme-like mechanism" Chem. Comm. 49, 1542 (2013). DOI: 10.1039/c2cc38165f    PDF

Kou, Z.; Shen, J.; Xu, E.; Li, S* "Hybrid Coupled Cluster Methods Based on the Split Virtual Orbitals: Barrier Heights of Reactions and Spectroscopic Constants of Open-Shell Diatomic Molecules" J. Phys. Chem. A 117, 626 (2013).  PDF

Hua, S.; Li, W.; Li, S* "The Generalized Energy-Based Fragmentation Approach with an Improved Fragmentation Scheme: Benchmark Results and Illustrative Applications" Chem. Phys. Chem. 14, 108 (2013).  PDF