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Papers published in 2009

  1. S. E. Wheeler, A. Moran, S. N. Pieniazek, and K. N. Houk, "Accurate Reaction Enthalpies and Sources of Error in DFT Thermochemistry for Aldol, Mannich, and α-Aminoxylation Reactions", J. Phys. Chem. A 113, 10376 (2009).
  2. 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).
  3. S. E. Wheeler and H. F. Schaefer, "Thermochemistry of the HOSO Radical, a Key Intermediate in Fossil Fuel Combustion", J. Phys. Chem. A 113, 6779 (2009).
  4. S. E. Wheeler and K. N. Houk, "Substituent Effects in Cation/π Interactions and Electrostatic Potentials above the Centers of Substituted Benzenes Are Due Primarily to Through-Space Effects of the Substituents", J. Am. Chem. Soc. 131, 3126 (2009).
  5. S. E. Wheeler, K. N. Houk, P. v. R. Schleyer, and W. D. Allen, "A Hierarchy of Homodesmotic Reactions for Thermochemistry", J. Am. Chem. Soc. 131, 2547 (2009).
  6. S. E. Wheeler and K. N. Houk, "Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions", Mol. Phys. 107, 749 (2009).