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1983-1990     1991-1993     1994-1996     1997-1999     2000-2002      2003-2005    2006-2008    2009-present

  1. S. Ha, J. Gao, B. Tidor, J. W. Brady and M. Karplus, "Solvent Effect on the Anomeric Equilibrium in D-glucose: A Free Energy Simulation Analysis." Journal of the American Chemical Society, 1991, 113, 1553-1557.
  2. J. Gao, S. Boudon and G. Wipff, Ab Initio and Crystal Structural Analysis of Like-Charged Ion Pairs." Journal of the American Chemical Society, 1991, 113, 9610-9614.
  3. J. Gao, "A Priori Computation of a Solvent-Enhanced SN2 Reaction Profile in Water: the Menshutkin Reaction." Journal of the American Chemical Society, 1991, 113, 7796-7797.
  4. J. Gao, "Polarization Contributions to Solute/Solvent Interactions: Partial Atomic Charges and Induced Dipole Moments." in Proceedings of the 2nd Conference on Solute/Solvent Interactions, G. R. Famini Ed., CRDEC, Aberdeen Proving Ground, MD. May 1992.
  5. J. Gao, "Absolute Free Energy of Solvation from Monte Carlo Simulations using Combined Quantum and Molecular Mechanical Potentials." Journal of Physical Chemistry, 1992, 96, 537-540.
  6. J. Gao and J. J. Pavelites, "Aqueous Basicity of the Carboxylate Lone Pairs and the C-O Barrier in Acetic Acid: A Combined Quantum and Statistical Mechanical Study." Journal of the American Chemical Society, 1992, 114, 1912-1914.
  7. J. Gao, "Comparison of the Hybrid AM1/TIP3P and the OPLS Functions through Monte Carlo Simulations of Acetic Acid in Water." Journal of Physical Chemistry, 1992, 96, 6432-6439.
  8. J. Gao and X. Xia, "A Priori Evaluation of Aqueous Polarization Effects Through Monte Carlo QM/MM Simulations." Science, 1992, 258, 631-635.
  9. J. Gao, "Potential of Mean Force for the Isomerization of DMF in Aqueous Solution: A Monte Carlo QM/MM Simulation Study." Journal of the American Chemical Society, 1993, 115, 2930-2935.
  10. J. Gao, F. J. Luque and M. Orozco, "Induced Dipole Moment and Atomic Charges Based on Average Electrostatic Potentials in Aqueous Solution." Journal of Chemical Physics, 1993, 98, 2975-2982.
  11. D. A. Jelski, J. R. Bowser, X. Xia, J. Gao and T. F. George, "Structures and Relative Stabilities of Silicon-Containing Buckminsterfullerenes: An AM1 Computational Study." Journal of Cluster Science, 1993, 4, 173-183.
  12. J. Gao, L. W. Chou and A. Auerbach, "The Nature of Cation- Binding: Interactions between Tetramethylammonium Ion and Benzene in Aqueous Solution." Biophysical Journal, 1993, 65, 43-47.
  13. J. Gao, "Supercritical Hydration of Organic Compounds. The Potential of Mean Force for Benzene Dimer in Supercritical Water." Journal of the American Chemical Society, 1993, 115, 6893-6895.
  14. J. Gao, X. Xia and T. F. George, "Importance of Biomolecular Interactions in Developing Empirical Potential Functions for Liquid Ammonia." Journal of Physical Chemistry, 1993, 97, 9241-9247.
  15. J. Gao, "Solvent Effect on the Potential Surface of the Proton Transfer in [H3N-H-NH3]+." International Journal of Quantum Chemistry: Quantum Chemical Symposium, 1993, 27, 491-499.
  16. J. Gao and X. Xia, "A Two-dimensional Energy Surface for a Type II SN2 Reaction in Aqueous Solution." Journal of the American Chemical Society, 1993, 115, 9667-9675.

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Revised: November 01, 2006.