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Qian-Er ZHANG

2011年05月09日

Professor
Office: LU Jia-Xi Building 207 
Tel: 2185199 
Email: qezhang@xmu.edu.cn
Address: State Key Laboratory of Physical Chemistry of Solid Surfaces
Brief Introduction
  •  Professor, Xiamen University
  • Member of the Chinese Academy of Sciences (1991-)
  • M.Sc., Xiamen University (1954)

 

Research Interests

Group theoretical method of many-electron system, valence bond theory, polyhedral molecular orbital theory, theoretical chemistry of clusters, chemisorption theory.

 

Representative Publications
  1. 专著 Theoretical Method of the Ligand Field Theory (配位场理论方法), Science Press (科学出版社 ), (1979).
  2. 专著Graphical Method of Huckel Matrix (休克儿矩陣图形理论), Science Press (科学出版社 ), (1981).
  3. 专著Polyhedron Molecular Orbital Theory (多面体分子轨道), Science Press (科学出版社), (1987).
  4. Q.E. Zhang, X. Li, Bonded tableau method for many-electron systems, J. Mol. Struct., 198, 413, (1989).
  5. X. Li, Q.E. Zhang, Bonded tableau and unitary group approach to the many-electron correlation problem, J.Quantum Chem., 36, 599, (1989).
  6. W. Wu, Q.E. Zhang, An efficient algorithm for evaluating the standard Young-Yamanouchi orthogonal representation with two-column Young tableaux for symmetry, J. Phys. A, 25, 3737, (1992).
  7. W. Wu, Q.E. Zhang, The orthogonal and the natural representation for symmetry, Int. J. Quantum Chem., 50, 55, (1994).
  8. Y. Mo, W. Wu, and Q.E. Zhang, Theoretical resonance energies of benzene, cyclobutadiene and butadiene, J. Phys. Chem., 98, 10048, (1994).
  9. W. Wu, Y. Mo, Z. Cao, Q.E. Zhang, A Spin-free approach for valence bond theory and itsaApplication, Valence Bond Theory, (D. L. Cooper and K. D. Klein etc.), Elsevier Science, Amsterdam,143, (2002).
  10. W. Wu, L. Song, Z. Cao, Q.E. Zhang, S. Shaik, Valence bond configuration interaction: a practical ab initio valence bond method that incorporates dynamic correlation, J. Phys. Chem. A, 106, 2721, (2002).
  11. W. Wu, A. Wu, Y. Mo, M. Lin, Q.E. Zhang, An efficient algorithm for the spin-valence bond theory I. New strategy and primary expressions, Int. J. Quantum Chem., 67, 287, (1998).
  12. M.H. Lin, Q.E. Zhang, A quantum chemical study on hexanuclear cluster halides of rare earth elements and their interstitial compounds, Int .J. Quantum Chem, 163, 170, (1991).
  13. X. Lu, M.C. Lin, Q.E. Zhang, Adsorptions of methanol, formaldehyde and formic acid on the Si(100)-2x1 surface: a theoretical study, Phys. Chem. Chem. Phys., 3, 2156, (2001).
  14. X. Lu, X. Xu, N. Wang, Q.E. Zhang, Functionalization of the C(100)-2X1 surface by 1,3-dipolar cycloadditions: a theoretical prediction, J. Phys. Chem. B, 106, 5972-5974, (2002).
  15. Q.E. Zhang, Z. Cao, H. Xian, W. Wu, Visual valence bond rules for chemical reactions, Theoretical Chemistry Accounts, 101(5), 352, (1999).
  16. Z. Cao, S. D. Peyerimhoff, Q.E. Zhang, Theoretical characterization of photoisomerization channels of dimethylpyridines on the singlet and triplet potential energy surfaces, Chemistry-A European Journal, 7(9), 1927, (2001).
  17. Z. Cao, W. Wu, Q.E. Zhang, Electronic structure of osmium dinitrides and dinitrogen molecule activation by osmium atom, Mol. Phys., 100, 517, (2002).
  18. X. Lu, F. Tian, X. Xu, N.Q. Wang, Q.E. Zhang, Theoretical exploration of the 1,3-dipolar cycloadditions onto the sidewalls of (n,n) armchair single-wall carbon nanotubes, J. Am. Chem. Soc., 125(34), 10459-10464 (2003).
  19. Z. Cao, H. Wan, Q.E. Zhang, Density Functional Characterization of N2 Dissociation on the step of Ruthenium clusters, J. Chem. Phys., 119, 9178, (2003).
  20. M.D. Chen, L.S. Zheng, Q.E. Zhang, M.H. Liu, C.T. Au, Density Functional Study of the Structures and Energies of CnP3- (n= 2-8) Clusters, J. Phys. Chem. A, 107, 10111-10117 (2003).