1) Geometries, electronic and magnetic properties of hafnium clusters: A density functional calculation , Thin State Films , 2012 , 520(2012) 2178
2) Geometries, stabilities and vibrational properties of bimetallic Mo2-doped Gen (n=9~15) Clusters: A Density Functional Investigation, , J.Phys.Chem A, , 2008 , 112 (2008) 3224.
3)  The Geometries and Properties of the Charged YbSin (n=7-13) Clusters: A Relativistic Computational Investigation, , Chem Phys. , 2010 , 378( 2010)82-87.
4) A theoretical study on the divergence of growth patterns: The Zn-doped germanium clusters, , Chem.Phys , 2007 , 342 (2007) 253.
5) A relativistic density functional investigation on the middle-sized rare-earth Yb impurity doped silicon clusters, , Chem Phys , 2010 , 372(2010)89-95.
6) The growth patterns and electronic properties of the cagelike Mo2 doped-Six (x=9-16) clusters, , J. Phys. Chem. A , 2007 , 111(2007)2148
7) A theoretical investigation on the tungsten-doped germanium clusters: WGen (n=1-17) , J. Phys. Chem A, , 2006 , 110(2006)12670
8) A Relativistic Computational Investigation：the Electronic Structures and Properties of TaSin+ (n=1-13,16) Clusters , J Phys. Chem. A, , 2006 , 110(2006) 7453
9) Geometries and magnetisms of the Zrn (n=2-8) clusters: The density functional investigations , J. Chem. Phys, , 2006 , 124(2006) 194301
10) A theoretical study on the growth patterns: The Ni-doped germanium clusters, , J. Phys. Chem. B. , 2006 , 110(2006)7820
11) Geometrical and Electronic Properties of the Neutral and Charged Rare Earth Yb-doped Sin (n=1-6) Clusters: A Relativistic Density Functional Investigation, , J. Phys. Chem. A , 2006 , 110(2006)4071
12) A theoretical investigation on Ti(H2O)x+1,0 (x=1-5) clusters by density functional methods, , Chem.Phys , 2006 , 323(2006)249
13) A computational Investigation on Germanium and Copper-doped Germanium clusters by the density functional method, , J. Chem. Phys. , 2005 , 123(2005)244303
14) A Theoretical investigation on Cr(H2O)x (x=1-4) clusters and their cations by density functional methods, , Theochem. , 2005 , 756(2005)55
15) Geometries, Stabilities and Electronic properties of different sized ZrSin clusters: A density functional investigation, , J. Chem. Phys., , 2005 , 123(2005) 064306
16) The computational progress of the transition metal doped Sin clusters, , Comput. Lett, , 2005 , 1(2005)230
17) Electronic and vibrational properties of diamondois hydrocarbons, , Phys Rev. B, , 2005 , 72(2005) 035447
18) Photoionization Study of L-Valine in the gas phase by VUV Synchrotron Radiation, , Euro J. of Mass Spectrometry , 2011 , 17(2011)101-112
19) Structural and Electronic Properties of TaSin (n=1~13) Clusters: A relativistic density functional investigation, , J. Chem. Phys. , 2004 , 121(2004)12265
20) A theoretical investigation on fullerene-like phosphorus clusters. , Chem. Phys. Lett. , 2004 , 396(2004)27
21) The new stable Sin(n=26-36,60) cages: a semiempirical theoretical investigation. , Theochem. , 2003 , 625(2003)47.
22) A computational investigation on CunN0,+/-(n=1-4) clusters, their cations and anions , Chem. Phys. , 2003 , 294(2003)211
23) A computational investigation of the Ni-doped Six (x=1-8) clusters by a density functional method , Theochem, , 2005 , 718(2005)165.
24) Geometries and stabilities of Re-doped Sin (n=1-12) clusters: A DFT investigation , J. Phys. Chem. A, , 2004 , 108(2004)5100.
25) A novel Set of Scoring Functions From Mechanical Stability Point-of-view for Protein-protein Docking, , J.Compt-Aid.Mol.design, , 2004 , 18(2004)251
26) Ab initio computational investigation on geometries and electronic structures of GenCl and GenCl-(n≤6) clusters, , Chem. Phys. , 2004 , 305(2004)253
27) A theoretical investigation on electronic properties and stability of IrSix (x=1-6) clusters, , Chem. Phys., , 2003 , 286(2003)181
28) a density functional investigation of AgSin(N=1-6) clusters, , Theochem , 2003 , 635(2003)25
29) A computational study of SnGex (x=1-4) clusters , Theochem, , 2003 , 624(2003)257.
30) Geometries and Stabilities of the Carbon Clusters With the Rhodium Impurity: A Computational Investigation. , J. Phys. Chem A , 2008 , 112(2008) 4375-4381
31) Recent Progress in the computational study of silicon and germanium clusters with transition metal impurities, , J. Comput. Theor. Nanosci. , 2009 , 6(2009)257-269.
32) Does The Incoming Oxygen Atom Influence the Geometries and the Electronic and Magnetic structures On Con Clusters? , J. Phys. Chem A. , 2009 , 113(2009)360-366.
33) 二乙基锌的同步辐射真空紫外光电离光解离, , Acta Phys. -Chim. Sin , 2008 , 24(2008)1767