Tao Fang, Shuhua Li*  "Block correlated coupled cluster theory with a CASSCF reference function: The formulation and test applications for single bond breaking" J. Chem. Phys. 127, 204108 (2007)   PDF

Jun Li, Shuhua Li*  "New Insight into Selective Catalytic Reduction of Nitrogen Oxides by Ammonia over H-Form Zeolites: A Theoretical Study" Phys. Chem. Chem. Phys. 9, 3304 (2007)   PDF

Hao Dong, Weijie Hua, and Shuhua Li* "Estimation on the Individual Hydrogen-Bond Strength in Molecules with Multiple Hydrogen Bonds" J. Phys. Chem. A 111, 2941 (2007)   PDF

Wei Li, Shuhua Li*, and Yuansheng Jiang "Generalized Energy-Based Fragmentation Approach for Computing the Ground-State Energies and Properties of Large Molecules" J. Phys. Chem. A 111, 2193 (2007)   PDF

Ma YS, Yao HC, Hua WJ, Li SH, Li YZ, Zheng LM* "Tetranuclear manganese(III) clusters containing both carboxylate and phosphonate bridging ligands" Inorganica Chimica Acta. 360, 1645 (2007)   PDF

Wu DY, Huang W, Hua WJ, Song Y, Duan CY*, Li SH, Meng QJ "Metal complexes formed by metal-assisted solvolysis of di-pyridylketone azine: structures and magnetic properties" Dalton Transactions 18, 1838 (2007)   PDF

Cao H, Fang T, Li SH, Ma J* "Interfacial charge transfer and transport in polyacetylene-based heteroionic junctions: Quantum chemistry calculations and molecular dynamics simulations" Macromolecules. 40, 4363 (2007)   PDF

Shi N, Dong H, Yin G, Xu Z*, Li SH* "A smart supramolecular hydrogel exhibiting pH-modulated viscoelastic properties" Advanced Functional Materials 17, 1837 (2007)   PDF