1.Fujun Li, Xiaojun Hu, Rongjian Sa,Jing Feng.Receding mechanism of NLO Response of polyanion [M8O26]4-(M=Cr, Mo, W) and the closed loops theory analysis,New Journal of Chemistry, 2014, 38:2619-2628.
2.Fujun Li, Xiaojun Hu , Rongjian Sa .Molecular orbital closed loops analysis of the third-order NLO response of polyanion [M8O26]4- (M= Cr, Mo, W): a TDDFT study,Structural Chemistry, 2014, 25: 539-549.
3.Li Fujun, Hu Xiaojun, Sa Rongjian..Closed loops theory on the third-order nonlinearoptical property of α- and β- isomers of [M8O26]4-: a TDDFT study,Molecular Physics, 2013, 111(20):3081-3086.
4.Xiaojun Hu, Fujun Li*,RongjinaSa, Jing Feng.NLO Properties ofUnidirectional Lengthening[Pt3(CO)3(μ-CO)3]n2- Clusters: A TDDFT Study,Journal of Cluster Science, 2015, 26:1511–1526.
5.Li, Fujun, Liu, Caiping, Liu, Chunwan and Wu, Kechen 'TDDFT study on electronic excitations and first hyperpolarizabilities of mixed-metal carbonyl clusters MonIr4-n(-CO)3(5-Cp)n (n = 1,2,3)',Molecular Physics,2007, 105:17,2251 -2257
6.Li, Fujunand Wu, Kechen, 'TDDFT study of the nonlinear optical properties of the rich d-electron molecular system- iridium/rhodium cluster: the effect of phosphaferrocene',Molecular Physics,2008, 106:15,1853 -1866
7.Li, Fujun, Sa, Rongjian and Wu, Kechen 'The effect of ligands on the first hyperpolarizabilities of rich d electron molecular system: iridium clusters, a TDDFT study',Molecular Physics,2008, 106:21,2537~2544
8.Li Fu-Jun,Rong-Jian Sa, Wu Ke-Chen ‘TDDFT study on electronic excitations and first hyperpolarizabilities of mixed-metal carbonyl clusters W2Ir2(μ-L)(CO)8(η5-C5H4Me)2(L=dppe/ dppf)’, Chin. J. Struct. Chem., 2009, 8:1,99~105
9.Li Fu-Jun,Rong-Jian Sa, Wu Ke-Chen, Ligand-Controlled First Hyperpolarizabilities of a Series of Tetrahedral Iridium Clusters Ir4(CO)9L: a TDDFT Study, Chin. J. Struct. Chem., 2009, 28:1,106~112