Wei Li, Shuhua Li* "Divide-and-conquer local correlation approach to the correlation energy  of large molecules" J. Chem. Phys. 121, 6649(2004)   PDF

Xin Wang, Shuhua Li*, and Yuansheng Jiang, "Mechanism of H2O2 Dismutation Catalyzed by a New Catalase Mimic (a Non-Heme Dibenzotetraaza[14]annulene-Fe(III) Complex): A Density Functional Theory Investigation" Inorg. Chem. 43, 6479 (2004)   PDF

Ganbing Zhang, Shuhua Li*, and Yuansheng Jiang "Density Functional Study on the Mechanisms of the Reactions of Gas-Phase OsOn+ (n=1-4) with Methane" Organometallics 23, 3656 (2004)   PDF

Shuhua Li* "Block-correlated coupled cluster theory: The general formulation and its application to the antiferromagnetic Heisenberg model" J. Chem. Phys. 120, 5017 (2004)   PDF