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Third Year Graduate Student

zhisun@uga.edu

  1. "Alkali-Metal Trihalides: M+X3 Ion Pair or MX–X2 Complex?"
    Sun, Z.; Moore, K. B.; Hill, J. G.; Peterson, K. A.; Schaefer, H. F.; and Hoffmann, R. J. J. Phys. Chem. B. 2017, Article ASAP.
  2. "The Al + CO2 → AlO + CO reaction: Experiment vs. theory"
    Sun, Z.; Moore, K. B.; and Schaefer, H. F. J. Chem. Phys. 2017, 147, 171101
  3. "The Hydrogen Abstraction Reaction H2S + OH → H2O + SH: Convergent Quantum Mechanical Predictions"
    Tang, M.; Chen, X.; Sun, Z.; Xie, Y.; and Schaefer, H. F. J. Phys. Chem. A. 2017, 121, 9136
  4. "Prediction and Characterization of Alkaline-Earth (M=Be, Mg, Ca, Sr, and Ba) Metallacyclopentadienes and Relevant Derivatives"
    Sun, Z.; Launder, A. M.; and Schaefer, H. F.* ChemistrySelect 2017, 2, 1442
  5. "Thioformaldehyde S-Sulfide, Sulfur Analog of the Criegee Intermediate: Structures, Energetics, and Rovibrational Analysis"
    Murphy, K. V.; Morgan, W. J.; Sun, Z.; Schaefer, H. F.; and Agarwal, J. J. Phys. Chem. A 2017, 121, 998-1006
  6. "Prototypical metal–oxo bonds: the reactions of Cr(PF3)6, Fe(PF3)5, and Ni(PF3)4 with oxygen"
    Sun, Z.; Schaefer, H. F.; Xie Y. M.; Liu, Y. D.; and Zhong, R. G. Theor. Chem. Acc. 2015, 134, 43
  7. "The reactions of Cr(CO)6 , Fe(CO)5, and Ni(CO)4 with O2 yield viable oxo-metal carbonyls"
    Sun, Z.; Schaefer, H. F.; Xie Y. M.; Liu, Y. D.; and Zhong, R. G. J. Comput. Chem. 2014, 35, 998
  8. "Does the metal–metal sextuple bond exist in the bimetallic sandwich compounds Cr2(C6H6)2, Mo2(C6H6)2, and W2(C6H6)2"
    Sun, Z.; Schaefer, H. F.; Xie Y. M.; Liu, Y. D.; and Zhong, R. G. Mol. Phys. 2013, 111, 2523