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Papers published in J. Chem. Theory Comput.

  1. R. K. Raju, J. W. G. Bloom, and S. E. Wheeler, "Broad Transferability of Substituent Effects in π-Stacking Interactions Provides New Insights into Their Origin", J. Chem. Theory Comput. (in press, 2013).
  2. J. W. G. Bloom, R. K. Raju, and S. E. Wheeler, "Physical Nature of Substituent Effects in XH/π Interactions ", J. Chem. Theory Comput. 8, 3167 (2012).
  3. Y. Lan, S. E. Wheeler, and K. N. Houk, "The Extraordinary Difference in Reactivity of Ozone (OOO) and Sulfur Dioxide (OSO): A Theoretical Study", J. Chem. Theory Comput. 7, 2104 (2011).
  4. S. E. Wheeler and K. N. Houk, "Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals", J. Chem. Theory Comput. 6, 395 (2010).
  5. S. E. Wheeler and K. N. Houk, "Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes", J. Chem. Theory Comput. 5, 2301 (2009).