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  :::: welcome ------ Center for Theoretical Chemistry ---ctc.xmu.edu.cn :::::
Professor Meng-Hai LIN  



M.S. (Xiamen University, 1982);
Visiting Professor (Catholic University of American, 1995-1996);
Visiting Scholar (Hong Kong Science and Technology University, 1999)

Tel: (86)(592)-2184300 (lab.) 2186312 (Home)
E-mail: linmh@xmu.edu.cn


Research Field:
Theoretical Chemistry Including Structural Chemistry, Quantum Chemistry, Computational Chemistry and Molecular Modeling

Research Interests:

Transition-Metal Clusters, Short-Range Order Structure of Noncrystalline Alloy, Quantum Confinement Effects of Low-dimensional Nanoscale Systems


Selected Publications:
(1) "Geometry Structures and Bonding Rule for Nanoclusters NinZrn(n=3-5) ", 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: Collision-induced 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 Block-localized 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 C-28 Similar to C-40", 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 C-40 and its Derivatives", with J.-M. Xiao and Y.-N. Chiu, J. Mol. Struct. - Theochem, 1998, 428, 149.
(11) "Efficient Algorithm for the Spin-free 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 C-60 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@C-32", 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)