[1] Yang, L. N.; Sun, Z. Z.; Chen, S. L.; Li, Z. S. The effects of various anchoring groups on optical and electronic properties of dyes in dye-sensitized solar cells. Dyes. Pigments 2013, 99, 29-35.
[2] Luo, J. H.; Zhang, Y. H.; Li, Z. S. Adsorption of Water on an MgSO4(100) Surface: A First-Principles Investigation. Chemphyschem 2013, 14, 1969-1976.
[3] Chen, S. L.; Yang, L. N.; Li, Z. S. How to design more efficient organic dyes for dye-sensitized solar cells? Adding more sp
(2)-hybridized nitrogen in the triphenylamine donor. J. Power Sources 2013, 223, 86-93.
[4] Zhang, H.; Yang, L.; Liu, J. Y.; Li, Z. S. Theoretical Study on the Reaction CX3 + SiH(CH3)3 (X = H, F). J. Comput. Chem. 2012, 33, 203-210.
[5] Zhang, H.; Liu, Y.; Liu, J. Y.; Li, Z. S. Theoretical study and rate constants calculation for the reactions X+CF3CH2OCF3 (X = F, Cl, Br). J. Comput. Chem. 2012, 33, 685-690.
[6] Yu, J. J.; Zhang, Y. H.; Li, Z. S. Intermolecular Vibration Coupling between Libration of Water and nu(2)-SOH for Clusters HSO4-(H2O)n. J. Phys. Chem. B 2012, 116, 12597-12604.
[7] Nan, G. J.; Li, Z. S. Influence of lattice dynamics on charge transport in the dianthra 2,3-b:2 ',3 '-f -thieno 3,2-b thiophene organic crystals from a theoretical study. Phys. Chem. Chem. Phys. 2012, 14, 9451-9459.
[8] Nan, G. J.; Li, Z. S. Phase dependence of hole mobilities in dibenzo-tetrathiafulvalene crystal: A first-principles study. Organic Electronics 2012, 13, 1229-1236.
[9] Liu, W. W.; Wang, X. L.; Chen, S. L.; Zhang, Y. H.; Li, Z. S. Theoretical study on reaction mechanism of sulfuric acid and ammonia and hydration of (NH4)2SO4. Theor. Chem. Acc. 2012, 131.
[10] Chen, S. L.; Li, Z. S.; Fang, W. H. Theoretical investigation of astacin proteolysis. J. Inorg. Biochem. 2012, 111, 70-79.