Prof. Shengyong Yang
Sichuan University, China


1999   Ph.D., Sichuan University, Physical Chemistry
1993   M.Sc., Sichuan University, Physical Chemistry

Publications (Selected)
  1. Hai-Bin Yuan, Ming-Li Xiang, Xiao-Qiang Deng, Li-Juan Chen, Bing Shi, Sheng-Yong Yang, Continuum solvent model study of the interactions between SH2 domain and phosphotyrosine—containing peptide, Journal of Southwest University for Nationalities-Natural Science Edition 2007,33,546-550.
  2. Sheng-Yong Yang, Tom Ziegler, “A combined Car-Parrinello QM/MM dynamic study on the propagation and termination steps of ethylene polymerization catalyzed by Me-B(Cm[Cp2ZrR-6F5)3] (R = Me, Pr)”, Organometallics, 2006, 25(4), 887-900.
  3. Szabo, M. J.; Galea, N. M.; Michalak, A.; Yang, S.-Y.; Groux, L. F.; Piers, W. E.; Ziegler, T “Copolymerization of Ethylene with Polar Monomers: Chain Propagation and Side Reactions. A DFT Theoretical Study Using Zwitterionic Ni(II) and Pd(II) Catalysts” J. Am. Chem. Soc. 2005, 127(42), 14692-14703.
  4. Sheng-Yong Yang, Miklos J. Szabo; Artur Michalak, Thomas Weiss, Warren E. Peiers, Richard F. Jordan and Tom Ziegler. “The exploration of neutral Azoligand Based Grubbs Pd(II) complex as potential catalyst for the co-polymerizaiton of ethylene with acrylonitrile. A theoretical study based on density functional theory”. Organometallics 2005, 24, 1242.
  5. Szabo, M. J.; Galea, N. M.; Michalak, A.; Yang, S.-Y.; Groux, L. F.; Piers, W. E.; Ziegler, T.; “Copolymerization of Ethylene with Polar Monomers by Anionic Substitution. Theoretical Study Based on Acrylonitrile and the Brookhart Diimine Catalyst” Organometallics 2005, 24(9), 2147-2156.
  6. Sheng-Yong Yang; Iordan Hristov; Paul Fleurat-Lessard; Tom Ziegler. “Optimizing the structures of Minimum and transition states on the free energy surface”. J. Phys. Chem. A 2005, 109(1), 197-204.
  7. Sheng-Yong Yang; Paul Fleurat-Lessard; Iordan Hristov; Tom Ziegler, “Free Energy Profiles for the Identity SN2 Reactions Cl- + CH3Cl and NH3 + H3BNH3: A Constraint Ab Initio Molecular Dynamics Study”. J. Phys. Chem. A 2004, 108, 9461-9468.
  8. Miklos J. Szabo; Richard F. Jordan; Artur Michalak; Warren E. Peiers; Thomas Weiss; Sheng-Yong Yang; and Tom Ziegler. “Polar Copolymerization by a Palladium-Diimine-Based Catalyst. Influence of the Catalyst Charge and Polar Substituent on Catalyst Posioning and Polymerization Activity. A Density Functional Theory Study”. Organometallics 2004, 23, 5565-5572.
  9. Yi-Zhi Huang, Sheng-Yong Yang, Xiang-Yuan Li. “An investigation of the acomaticity of transition metal heterocyclic complexes by conventional criteria and indices of aromaticity”. J. Organomet. Chem. 2004, 689,1050.
  10. Yizhi Huang, Sheng-Yong Yang, Xiang-Yuan Li, Electronic Structure and Aromaticity of Osmabenzene, Chinese Journal of Chemical Physics, 2003, 16, 440-444.
  11. Hai-Bo Yi, Xiao-Hui Duan, Xiang-Yuan Li, Sheng-Yong Yang Charge-separated state and electronic coupling for photoinduced electron transfer between 9,10-dicyanoanthracene and durene,Chemical Journal of Chinese Universities-Chinese 2003, 24 (8), 1438-1441.
  12. Sheng-Yong Yuang, Zi-Ming Bao, Xiang-Yuan Li, Effect of axial ligand in six-coordinated Os(IV) porphyrin complexes, Acta Chimica Sinica, 2003, 61(7), 1025.
  13. Haibo Yi; Xiang-Yuan Li; Sheng-Yong Yang; and Xiaohui Duan, “Theoretical investigation of charge transfer excitation and charge recombination in acenaphthylene-tetracyano ethylene complex”. International Journal of Quantum Chemistry, 2003, 94(1), 23-35.
  14. Ji-Feng Liu, Quan Zhu, Xiang-Yuan Li, Sheng-Yong Yang, Theoretical study on electron transfer matrix element in oxidation of alpha-amino carbon-centered radical by O-2”. Chinese Chemistry, 2002, 20(10), 972-977.(IF: 0.719).
  15. Sheng-Yong Yang, Xiang-Yuan Li, Yi-Zhi Huang, “Electronic reason for the stabilization of osmabenzyne”, J. Organomet. Chem. 2002, 658, 9-14.
  16. Shen-Xiu Xiao, Sheng-Yong Yang,Tian-Liang Chen, Rong-Shun Wang, Studies on the relationship between electronic structures and catalytic properties of Dawson HPA anion”, Chemical Journal of Chinese Universities. 2002, 23(4), 652-655.
  17. Shen-Xiu Xiao, Sheng-Yong Yang,Tian-Liang Chen, Rong-Shun Wang,Relationships of electronic structures and physico-chemical properties of Keggin anions on central atoms. Acta Chinica Sinica 2001, 59(8), 1165.
  18. Sheng-Yong Yang, Zhenyang Lin, “Geometric features of six-coordinated d4 osmium-porphyrin complexes”, Organometallics, 2001, 20, 3198-3201.
  19. Sheng Hua Liu, Sheng-Yong Yang, Shu Tak Lo, Zhitao Xu, Weng Sang Ng, Ting Bin Wen, Zhong Yuan Zhou, Zhenyang Lin, Chak Po Lau and Guochen Jia, “Protonation reactions of MHCl(norbornadiene)(PPh3)2 (M=Ru, Os)”. Organometallics, 2001, 20, 4161.
  20. Chuanqi Yin, Zhitao Xu, Sheng-Yong Yang, Siu Man Ng, Kwok Yin Wong, Zhenyang Lin and Chak Po Lau, “Studies of promoting effect of water in Ruthenium-catalyzed hydrogenation of carbon dioxide to formic acid, experimental and theoretical”. Organometallics, 2001,20, 1216-1222.
  21. Sheng-Yong Yang, Ting Bin Wen, Guochen Jia, Zhenyang Lin, “Theoretical Studies of Rotational Barriers of Vinylidene Ligands in the Five-Coordinate Complexes M(X)Cl(=C=CHR)L2 (M=Os, Ru; L=Phosphine)”. Organometallics, 2000, 19, 5477-5483.
  22. Ting Bin Wen, Sheng-Yong Yang, Zhong Yuan Zhou, Zhenyang Lin, Chak-Po Lau, and Guochen Jia. “Unexpected Formation of Osmium carbine and Vinylidene complexes from the reaction of OsCl2(PPH3)3 with HCCCMe3”. Organometallics 2000, 19, 3757-3761.
  23. Yang Sheng-Yong, Xiao Shen-Xiu, Chen Tian-Lang and Wang Rong-Shun, “Influences of skeletal metal atoms on the electronic structures and physico-chemical properties of Keggin anions” Acta Chimica Sinica, 2000, 58(1), 43-49.
  24. Shen-Xiu Xiao, Sheng-Yong Yang and Tian-Lang Chen, “Electronic structures and catalytic properties of (NiMo9O32)5-”. International Journal of Quantum Chemistry 1998, 70(2), 375-378.
  25. Xiao Shen-Xiu, Yang Sheng-Yong, Chen Tian-Lang and Li Ping, “The influence of central metal atoms on the electronic structures and catalytic properties of Keggin anions”, Acta Chimica Sinica, 1997, 55(4), 356-362.
  26. Sheng-Yong Yang, Shenxiu Xiao, Tianlang Chen and Rongshun Wang “Electronic structures of Dawson-type heteropoly anion molybdodisulfate”, Chinese J. Chem. Phys., 2000, 13(1), 36-42.
  27. Shen-Xiu Xiao,Sheng-Yong Yang, Tian-Lang Chen, Electronic structure and physichemical properties of Dawson-type HPA (P2M18O62)6-(M=Mo,W). Progress of Physical Inorganic chemistry. 1999,199-201.
  28. Yang Shengyong, Xiao Shenxiu and Chen Tianlang, “Influence of vanadium substitution of Keggin-type heteropoly anions on their electronic structures and catalytic properties”, Chinese J. Chem. Phys., 1994, 7(5), 461-466.
  29. Yang Sheng-Yong, Xiao Shen-Xiu and Chen Tian-Lang, “Studies on the electronic structures and catalytic properties of Anderson and Waugh heteropoly anions”, Chem. J. Chinese universities, 1994, 15(9), 1369-72.
  30. Yang Shengyong, Xiao Shenxiu and Chen Tianlang, “Studies on the electronic structures and catalytic properties of heteropoly anion (NiV13O38)7-“, Chinese J. Phys. Chem., 1994, 10(12), 1071-4.
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