Selected
Publications:
(1) "Geometry Structures and Bonding Rule for Nanoclusters
NinZrn(n=35) ", with Y.P. Wang, K.M. Dong and
K. Tan, Chem. J. Chin. Univ., 2002, 23, 453.
(2) "Interatomic Potentials for NiZr Alloys from
Experimental and Ab Initio Calculations", with
K. Tan and N.Q. Wang, Chem. Res. Chin. Univ., 2002,
18, 38.
(3) "Copper Cluster Structural Stablity and Energetics
 Calculations and Simulations", with K. Tan and
N. Q. Wang, Acta Chim. Sinica, 2002, 60, 24.
(4) "Studies of Linear CnSe (1￡n￡ 11) Clusters
Produced from Laser Ablation: Collisioninduced Dissociation
and Ab Initio Calculations", with H.Y. Wang, R.B.
Huang, H. Chen and L.S. Zheng, J. Phys. Chem. A, 2001,
105, 4653.
(5) "The Blocklocalized Wavefunction Method and
its Application", with Y.R. Mo and W. Wu, Acta
Chim. Sinica, 2000, 58, 218.
(6) "Theoretical Study for Exohydrogenates of Small
Fullerenes C28 Similar to C40", with Y.N. Chiu
and J. M. Xiao, J. Mol. Struct. Theochem, 1999, 489,
109.
(7) "Orbital Deletion Procedure and its Applications",
with Y.R. Mo and W. Wu, Sci. China B, 1999, 42, 253.
(8) "A Theoretical Study on Geometric Structures
and Electronic Properties of Cluster Ions TinPm+",
with K. Tan and W. Wu, Chem.. J. Chin. Univ., 1999,
20, 598.
(9) "Theoretical Study of Decachlorocorannulene
and its Congeners C20X10 and C20Z5", with Y.H.
Wang and W.J. Huang, Fullerene Sci. Tech., 1998, 6,
1111.
(10) "The Structures of Fullerene C40 and its
Derivatives", with J.M. Xiao and Y.N. Chiu, J.
Mol. Struct.  Theochem, 1998, 428, 149.
(11) "Efficient Algorithm for the Spinfree Valence
Bond Theory. I. New Strategy and Primary Expressions",
with W. Wu, A. Wu and Y.R. Mo, Int. J. Quantum Chem.,
1998, 67, 287.
(12) "Collapsed Deposition of Accelerated C60
Beam on Solid Surfaces (III)  Ab Initio Calculation
of Quantum Chemistry", with Y.P. Lu and Z.C.
Tang, Chem. J. Chin. Univ., 1998, 19, 455.
(13) "Ab Initio Study on Photolysis of Chlorine
Nitrate and its Isomers (II)  Investigation of Reaction
Mechanism of ClONO2 ? ClO + NO2", with L.T. Lin
and L.Y. Chui Chow, Chem. J. Chin. Univ., 1998, 19,
284.
(14) "Theoretical Study of Metallofullerenes M@C32",
with Y.N. Chiu and S.T. Lai, J. Mol. Struct. Theochem,
1998, 422, 57.
Selected Targets of
Current Interest
(TiNi)。.(ZrNi).结构与烯烃的等瓣相似
The isolobel analogy of alkenes and clusters (TiNi)。.(ZrNi)。
