Thesis:

• M.S. A Wavelet Based Algorithm for Image Super-Resolution Emory University 2007 [PDF]
• Ph.D. Ab initio Molecular Potential Energy Surface Construction and Molecular Dynamics Simulation for Small Molecules. Emory University 2008 [URL] [PDF]

Published Papers:

List@ResearcherId

1. Seven-degree-of-freedom, Quantum Scattering Dynamics Study of the H₂D⁺ + H₂ reaction
   Dunyou Wang, Zhen Xie and Joel M. Bowman
   J. Chem. Phys., 132,084305, 2010. [BIB] [DOI]
2. Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization
   Zhen Xie^* and Joel M. Bowman
   J. Chem. Theory Comput., 6(1), 26-34, 2010. [BIB] [DOI] [PDF (available for free)]
3. Production of vibrationally excited H₂O from charge exchange of H₃O⁺ with Cesium
   J.E. Mann, Zhen Xie, J.D. Savee, J.M. Bowman, and R.E. Continetti
   J. Chem. Phys., 130:041102, 2009. [BIB] [DOI]
4. Probing the structure of CH₅⁺ by dissociative charge exchange
   J.E. Mann, Zhen Xie, J.D. Savee, B.J. Braams, J.M. Bowman, and R.E. Continetti
   J. Am. Chem. Soc., 130:3730, 2008. [BIB] [DOI]
5. Vibrational ground state properties of H₅⁺ and its isotopomers from diffusion monte carlo calculations
   P.H. Acioli, Zhen Xie, B.J. Braams, and J.M. Bowman
   J. Chem. Phys., 128:104318, 2008. [BIB] [DOI]
6. Quasiclassical trajectory study of the reaction H+CH₄(&nu₃=0,1)→ CH₃+H₂ using a new ab initio potential energy surface
   Zhen Xie, J.M. Bowman, and X.B. Zhang
   J. Chem. Phys., 125:133120, 2006. [BIB] [DOI]
7. Quasiclassical trajectory study of the reaction of fast h atoms with C-H stretch excited CHD₃
   Zhen Xie and J.M. Bowman
   Chem. Phys. Lett., 429:355-359, 2006. [BIB] [DOI]
8. Zero-point energy constraint in quasi-classical trajectory calculations
   Zhen Xie and J.M. Bowman
   J. Phys. Chem. A, 110:5446-5449, 2006. [BIB] [DOI]
9. Ab initio global potential-energy surface for H₅⁺→ H₃⁺ + H₂
   Zhen Xie, B.J. Braams, and J.M. Bowman
   J. Chem. Phys., 122:224307, 2005. [BIB] [DOI]
10. Chemoselective carbonyl benzylation mediated by Zn/CdCl₂/InCl₃ in tap water
    C.L. Zhou, J.Y. Jiang, Y.Q. Zhou, Zhen Xie, Q. Miao, and Z.Y. Wang
    Lett. Org. Chem., 2:61-64, 2005. [BIB] [PDF]
11. Organometallic reactions in aqueous media: the allylations of carbonyl compounds mediated in Zn/CdSO₄ and Zn/SnCl₂ bimetal systems
    C.L. Zhou, Y.Q. Zhou, J.Y. Jiang, Zhen Xie, Z.Y. Wang, J.H. Zhang, J.H. Wu, and H. Yin
    Tetrahedron Lett., 45:5537-5540, 2004. [BIB] [DOI]
12. High regio- and stereoselective barbier reaction of carbonyl compounds mediated by NaBF₄/Zn(Sn) in water
    Z.G. Zha, Zhen Xie, C.L. Zhou, M.X. Chang, and Z.Y. Wang
    New J. Chem., 27:1297-1300, 2003. [BIB] [DOI]
13. Nanosilver fabrication under the control of ligands containing pyridyl group in solution phase with photoreduction method
    Zhen Xie, Z.Y. Wang, Y.X. Ke, Z.G. Zha, and C. Jiang
    Chem. Lett., 32:686-687, 2003. [BIB] [DOI]
14. Importance of sigma-type hyperconjugation to the eclipsed structure of propylene
    B.L. Lin, Zhen Xie, R. Liu, L. Liu, and Q.X. Guo
    Theochem-J. Mol. Struct., 633:15-19, 2003. [BIB] [DOI]
15. Chemoselective benzylation an allylation of 4-nitrobenzaldehyde promoted by phase transfer catalyst and metal in aqueous media
    Z.G. Zha, Zhen Xie, C.L. Zhou, Z.Y. Wang, and Y.S. Wang
    Chin. J. Chem., 20:1477-1480, 2002. [BIB] [PDF]

Preprints:

1. Optimal Security Response to Attacks on Open Science Grids
   Mine Altunay, Sven Leyffer, Jeffrey T. Linderoth, and Zhen Xie^*
   Preprint ANL/MCS-P1593-0309, Argonne National Laboratory, Mathematics and Computer Science Division, March 2009. Comput. Netw., in revision, 2009. [PDF]