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¿ÆÑдú±í×÷Representative Publication:
Wan H. L., Weng W. Z., Iwasawa Y., Selective Oxidation of C1-C3 Alkanes on Fluride-Containing Mixed Oxide Catalysts, Hyomen(Surface), 1998, 36(2), 1-9.
Long R. Q., Wan H. L., In situ confocal microprobe Raman spectroscopy study of CeO2/BaF2 catalyst for the oxidative coupling of methane, J. Chem. Soc., Faraday Trans., 1997, 93(2), 355-358.
Long R. Q., Huang Y. P., Weng W. Z., Wan H. L., Tsai K. R., The performance and structure of rare earth oxides modified by strontium fluoride for methane oxidative coupling, Catal. Today, 1996, 30, 59-65.
Wan H. L., Chao Z. S., Weng W. Z., Zhou X. P., Cai J. X., Tsai K. R., Constituent selection and performance characterization of catalysts for oxidative coupling of methane and oxidative dehydrogenation of ethane, Catal. Today, 1996, 30, 67-76.
Zhou X. P., Zhou S. Q., Zhang W. D., Chao Z. S., Weng W. Z., Long R. Q., Tang D. L., Wang H. Y., Wang S. J., Cai J. X., Wan H. L., Tsai K. R., Methane and light alkane (C2-C4) conversion over metal fluoride-metal oxide catalyst system in presence of oxygen, "Methane and Alkane Conversion Chemistry", Bhasin M. M. and Slocum D. W., Eds., Plenum Press, New York, 1995, 19-30.
Chao Z. S., Zhou X. P., Wan H. L., Tsai K. R., Methane oxidative coupling on BaF2/LaOF catalyst, Appl. Catal. A: General, 1995, 130, 127-133.
Zhou X. P., Chao Z. S., Luo J. Z., Wan H. L., Tsai K. R., Oxidative dehydrogenation of ethane over BaF2-LaOF catalysts, Appl. Catal. A: General, 1995, 133, 263-268.
Long R. Q., Zhou S. Q., Huang Y. P., Weng W. Z., Wan H. L., Tsai K. R., Promoting effect of F- on Sr/La oxide catalysts for the oxidative coupling of methane, Appl. Catal. A: General, 1995, 133, 269-280.
Wan H. L. Energetics and quantum chemistry of the activation and catalytic conversion of small Molecules in C1 chemistry, chapter 1, in K. R. Tsai and S. Y. Peng editors, "Catalysis in C1 Chemistry", Chemical Engineering Press, Beijing, 1995, pp9-46.
Zhou S. Q., Zhou X. P., Wan H. L., Tsai K. R., Oxidative coupling of methane over BaF2-TiO2 catalysts, Catal. Lett., 1993, 20, 179-183.
Wang F. C., Wan H. L., Tsai K. R., Wang S. J., Xu F. C., Electron spectroscopic study of adsorption of methane on titanium dioxide surfaces, Catal. Lett., 1992, 12, 319-326.
Weng W. Z., Yan J. Y., Cai J. X., Dai S. J., Chao S. J., Chen L. L., Wan H. L., XPS, Chemical trapping and DRFTIR study on mechanism of by product formation in selective (amm)oxidation of propylene on MoO3 and g-Bi2MoO6, Chem. J. Chinese Univ., 1990, B, (4), 346-353.
Zhou T. J., Wan H. L., A quantum chemical study on electronic structure of a-Fe planes and its relation with catalytic activity for ammonia synthesis, J. Xiamen Univ. (Natural Science), 1987, 26(5), 530-536.
Huang K. H., Wan H. L., "Principles of Catalysis",Science Press, Beijing, 1983.
Wan H. L., Tsai K. R., Chemical modeling of biological nitrogen fixation XIV EHMO study of probable modes of m3(h2) coordination of some nitrogenas substrates (cyclopropene etc.) and reductive hydrogenation intermediates of N2, J. Xiamen Univ. (Natural Science), 1981, 20(1), 62-73.
34Â¥2007-12-30 10:18:31
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shuqunwei197910

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1992ÄêÔÚÖйú¿ÆÑ§Ôº¸£½¨ÎïÖʽṹÑо¿ËùÎïÀí»¯Ñ§×¨Òµ»ñ²©Ê¿Ñ§Î»£¬²¢ÓÚ1993ÄêÆÆ¸ñ½úÉýΪ¸±Ñо¿Ô±£»1994-1997ÄêÔڵ¹úÎ÷¸ù´óѧºÍÃÀ¹ú¶íº¥¶íÖÝÁ¢´óѧ»¯Ñ§Ïµ´Óʲ©Ê¿ºóÑо¿£»1997-2001ÔÚÃÀ¹ú¶íº¥¶íÖÝÁ¢´óѧµ£ÈÎÑо¿¿ÆÑ§¼Ò£¨Research Scientist£©£»2001ÄêÈ¡µÃÃÀ¹úÎ÷±±Ì«Æ½Ñó¹ú¼ÒʵÑéÊÒÖÕÉíְ룬µ£Èθ߼¶Ñо¿¿ÆÑ§¼ÒI £¨Senior Research Scientist I£©, ²¢ÓÚ2004Äê½úÉýΪ¸ß¼¶Ñо¿¿ÆÑ§¼ÒII £¨Senior Research Scientist II£©¡£2004ÄêÈëÑ¡Ç廪´óѧ¡°°ÙÃûÈ˲ÅÒý½ø¼Æ»®¡±£¬»ñƸΪ½ÌÊںͲ©Ê¿Éúµ¼Ê¦£» 2005ÄêÊÜÆ¸Îª½ÌÓý²¿³¤½­Ñ§ÕßÌØÆ¸½ÌÊÚ£¬²¢»ñ¹ú¼Ò½Ü³öÇàÄê¿ÆÑ§»ù½ð×ÊÖú¡£³¤ÆÚ´ÓʼÆË㻯ѧ¡¢Á¿×Ó»¯Ñ§¡¢ÀíÂÛÎÞ»ú»¯Ñ§¡¢ÖØÔªËØ»¯Ñ§ºÍ¼ÆËã²ÄÁÏ»¯Ñ§µÈÁìÓòµÄÑо¿¹¤×÷¡£


Publications
1.Li, J.; Bursten, B. E.; Liang, B.; Andrews, L. "Noble Gas-Actinide Compounds: Complexation of the CUO Molecule by Ar, Kr, and Xe Atoms in Noble-Gas Matrices", Science 2002, 295, 2242-2245.

2.Li, J.; Li, X.; Zhai, H.-J.; Wang, L.-S. "Au20: A Tetrahedral Cluster", Science 2003, 299, 864-867.

3.Zhai, H.-J.; Boggavarapu, K.; Li, J.; Wang, L.-S. "Hydrocarbon Analogs of Boron Clusters: Planarity, Aromaticity, and Antiaromaticity", Nature Materials 2003, 2, 827-833.

4.Li, J.; Bursten, B. E.; Andrews, L.; Marsden, C. J. "On the Electronic Structure of Molecular UO2 in the Presence of Ar Atoms: Evidence for Direct U-Ar Bonding", J. Am. Chem. Soc.2004, 126, 3424-3426.

5.Huang, X.; Zhai, H.-J.; Waters, T.; Li, J.; Wang, L.-S. ¡°Experimental and Theoretical Characterization of Superoxide Complexes [W2O6(O2-)] and [W3O9(O2-)]: Models for the Interaction of O2 with Reduced W Sites on Tungsten Oxide Surfaces¡±, Angew. Chem. Int. Ed.2006, 45, 657-660.
35Â¥2007-12-30 10:32:10
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1¡¢¡°Prediction of Henry¡¯s Law Constants of Small Gas Molecules in Liquid Ethylene Oxide and Ethanol Using All-Atom Force Fields¡±, Wu, C. Li, X.F. Dai, J.X. Sun. H. Fluid Phase Equilibria, 2005, 236, 66.
2¡¢¡°Prediction of the Heats of Mixing for Binary Fluids Using Molecular Dynamics Simulation¡±, Dai, JX. Wu, C. Bao, X, Sun. H. Fluid Phase Equilibria, 2005, 236, 78.
3¡¢¡°An ab initio study of the alpha-fluorination effects on phosphatase inhibitors¡± , Wu, C. J.; Zhao, K.; Sun H., J. Mol. Struct. 2005, 726, 1.
4¡¢¡°Urea: An Ab Initio And Force Field Study Of The Gas And Solid Phases¡±, H. Sun and P. W.-C. Kung, J. Comput. Chem. 2005, 26, 169
5¡¢"System, Method, And Computer Program Product For Generating Molecular Mechanics Force Field Parameters For Atomistic Simulations", H. Sun, US Patent 6785665, (2004).
6¡¢¡°Prediction of Fluid Densities Using Automatically Derived Ab Initio Force Fields¡± Sun, H. Fluid Phase Equilibria, 2004, 217, 59.
7¡¢¡°Development and Validation Of COMPASS Force Field Parameters For Molecules With Aliphatic Azide Chains¡± McQuaid M. J., Sun H., Rigby D. J. Comput. Chem. 2004, 25, 61.
8¡¢Sato F, Hojo S, Sun H, ¡°On The Transferability Of Force Field Parameters - With An Ab Initio Force Field Developed For Sulfonamides¡± J. Phys. Chem. A 2003, 107, 248.
9¡¢"COMPASS Force Field for 14 Inorganic Molecules, He, Ne, Ar, Kr, Xe, H2, O2, N2, NO, CO, CO2, NO2, CS2, and SO2, in Liquid Phases", J. Yang, Y. Ren, A. Tian , H. Sun; J. Phys. Chem., B; 2000, 104; 4951.
10¡¢"COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase Applications - Overview with Details on Alkane and Benzene Compounds", H. Sun, J. Phys. Chem., 1998, 102, 7338.
11¡¢"Molecular Structures and Conformations of Polyphosphazenes - A Study Based on Density Functional Calculations of Oligomers", H. Sun, J. Am. Chem. Soc., 119, 3611, (1997)

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1) Shenmin Li£¨ÀîÉ÷Ãô£©, Tricia. D. Shepherd, Ward, H. Thompson ¡°Simulations of the vibrational relaxation of a model diatomic molecule in a nano-confined polar solvent¡± J. Phys. Chem. A£¬108, 7347£­7355(2004)
2) Shenmin Li£¨ÀîÉ÷Ãô£©, Ward, H. Thompson ¡°Molecular dynamics simulations of the vibrational relaxation of I2 in Xe on an ab initio-based potential function¡± Chem. Phys. Lett.£¬383, 326£­331 (2004)
3) Shenmin Li£¨ÀîÉ÷Ãô£©, Ward, H. Thompson ¡°Simulation of the Vibrational Relaxation of I2 in Xe¡± J. Phys. Chem. A, 107, 8696£­8704 (2003)
4) Shenmin Li£¨ÀîÉ÷Ãô£©, Ward H. Thompson ¡°Proton transfer in nano-confined polar solvents. I. Free energies and solute position¡±  J. Phys. Chem. B, 2005
5) Shenmin Li£¨ÀîÉ÷Ãô£©, Ward H. Thompson ¡°How accurate is time-independent perturbation theory for calculating frequency shifts of diatomics molecules in rare gas fluids?¡± Chem. Phys. Lett., 405, 304-309 (2005)
6) Shenmin Li£¨ÀîÉ÷Ãô£©£¬ Hua Guo  ¡°Monte Carlo wave packet study of negative ion mediated vibrationally inelastic scattering of NO from the metal surface¡± J. Chem. Phys. 117, 4499£­4508 (2002)
7) Shenmin Li£¨ÀîÉ÷Ãô£©£¬Hua Guo  ¡°Corrugation induced rotational excitation in photon/electron-induced desorption of ammonia: A three-dimensional quantum study¡± J. Chem. Phys., 115, 3330£­3335 ( 2001)
8) Thompson, Ward H.£¬Shenmin Li £¨ÀîÉ÷Ãô£© ¡°Simulations of vibrational relaxation¡± Abstracts of Papers, 227th ACS National Meeting, Anaheim, CA, United States, March 28-April 1, 2004 (2004), PHYS-056.
9) Shenmin Li £¨ÀîÉ÷Ãô£©, Ward H Thompson,. ¡°Simulations of vibrational energy relaxation in solution¡± Abstracts of Papers, 225th ACS National Meeting, New Orleans, LA, United States, March 23-27, 2003 (2003), PHYS-341.
10) Ward H. Thompson, Tricia Shepherd, Shenmin Li£¨ÀîÉ÷Ãô£©. ¡°Chemical dynamics in nanoconfined solvents¡± Abstracts, 55th Southeast Regional Meeting of the American Chemical Society, Atlanta, GA, United States, November 16-19, 2003 (2003), 802.
11) Shenmin Li£¨ÀîÉ÷Ãô£©, Ward H. Thompson, ¡°Simulation of the vibrational relaxation of iodine in xenon¡± Abstracts, 37th Midwest Regional Meeting of the American Chemical Society, Lawrence, KS, United States, October 23-25, 2002 (2002), 214.

[ Last edited by chirs8406 on 2007-12-30 at 14:47 ]
37Â¥2007-12-30 14:46:23
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Structural transition of Li2BeH4 under high pressure: A first-principles study:C. H. Hu,1 D. M. Chen,1 Y. M. Wang,2,* D. S. Xu,2 and K. Yang1
First-principles calculations of structural, electronic, and thermodynamic properties of Na2BeH4:C. H. Hu,1,2 Y. M. Wang,1,* D. M. Chen,2 D. S. Xu,2 and K. Yang2
First-principles study of the influence of lattice misfit on the
segregation behaviors of hydrogen and boron in the Ni¨CNi3Al system:Y.X. Wu a, X.Y. Li b, Y.M. Wang a
First-principles investigations of the pressure-inducedstructural transitions in Mg(AlH4)2:C HHu1, DMChen1, YMWang2,4, D S Xu3 and K Yang1
38Â¥2007-12-30 16:20:32
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[1]¡°A Complex Ray Tracing Study of Wave Tunelling in a Cold Stratified Loss Free plasma¡±, By Zhen-song Wang, Physics Scripta,Vol.29,PP482-489,1984.
[2]¡°Wave Propagation in Random Medium: The Solution of the m-nth Moment Equation With Different Wave-numbers¡±, By Zhen-song Wang, Letters in Mathematical Physics, Vol.13, PP241-245, 1987
[3]¡°Optical Wave Propagation through Inhomogeneous Random Medium¡±, By Zhen-song Wang, Physica Scripts, Vol.35, PP318-322, 1987
[4]¡°Analytical Solution in Differential Form for the m-nth Moment Equation With Different Wave-numbers¡±, By Zhen-song Wang and Hsiao-fei Maa, Physica Scripta, Vol.36, PP577-581, 1987
[5]¡°Wave Propagation in Random Media Having Spatial Variation of Mean refractive Index: A Complete Set of Moment Equations With Different Wave- numbers¡±, By Zhen-song Wang, Physica Scripts, Vol.38, PP573-577, 1988
[6]¡°Electromagnetic Wave Propagation in Turbulent and Nonlinear Plasmas¡±, By Zhen-song Wang and D.A.Bryant, Journal of Physics Mathematical and General Physics, Vol.23, PP2879-2896, 1990
[7]¡°The Scattering of Electromagnetic Waves in Fractal Media¡±, By Zben-song Wang and Bao-wei Lu, Waves in Random Media, Vol.4, PP97- l03, 1994
[8]¡°The Effect of the Attitude 0f circu1ar Orbiting SAR on Doppler Properties¡±, By Zhen-song Wang, Zhi-qin Wang and Jiang Xu, International Journal of Remote sensing, Vol15, No.11, PP.2313-2322, 1994
39Â¥2007-12-30 16:53:58
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