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Papers published in J. Phys. Chem. A

  1. M. D. Wodrich, J. Gonthier, C. Corminboeuf, and S. E. Wheeler, "Reply to “Comment on ‘Accurate Thermochemistry of Hydrocarbon Radicals via an Extended Generalized Bond Separation Reaction Scheme’”", J. Phys. Chem. A 116, 8794 (2012).
  2. B. Bandyopadhyay, T. C. Cheng, S. E. Wheeler, and M. A. Duncan, "Vibrational spectroscopy and theory of the protonated benzene dimer and trimer", J. Phys. Chem. A 116, 7065 (2012).
  3. E. C. Vujanovich, J. W. G. Bloom, and S. E. Wheeler, "Impact of Neighboring Chains on Torsional Defects in Oligothiophenes", J. Phys. Chem. A 116, 2997 (2012).
  4. M. D. Wodrich, C. Corminboeuf, and S. E. Wheeler, "Accurate Thermochemistry of Hydrocarbon Radicals via an Extended Generalized Bond Separation Reaction Scheme", J. Phys. Chem. A 116, 3436 (2012).
  5. S. E. Wheeler and K. N. Houk, "Are Anion/π Interactions Actually a Case of Simple Charge-Dipole Interactions?", J. Phys. Chem. A 114, 8658 (2010).
  6. J. C. Hargis, H. F. Schaefer, K. N. Houk, and S. E. Wheeler, "Non-Covalent Interactions of a Benzo[a]pyrene Diol Epoxide with DNA Base Pairs: Insight into the Formation of Adducts of (+)-BaP DE-2 with DNA", J. Phys. Chem. A 114, 2038 (2010).
  7. 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).
  8. 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).
  9. S. E. Wheeler, D. H. Ess, and K. N. Houk, "Thinking Out of the Black Box: Accurate Barrier Heights of 1,3-Dipolar Cycloadditions of Ozone with Acetylene and Ethylene", J. Phys. Chem. A 112, 1789 (2008).
  10. S. E. Wheeler, A. C. Simmonett, and H. F. Schaefer, "The Renner-Teller Bending Frequencies of the A 2Π State of OCS+", J. Phys. Chem. A 111, 4551 (2007).
  11. S. E. Wheeler, K. A. Robertson, W. D. Allen, H. F. Schaefer, Y. J. Bomble, and J. F. Stanton, "Thermochemistry of Key Soot Formation Intermediates: C3H3 Isomers", J. Phys. Chem. A 111, 3819 (2007).
  12. R. L. Lord, S. E. Wheeler, and H. F. Schaefer, "The Pentacyanocyclopentadienyl System: Structures and Energetics", J. Phys. Chem. A 109, 10084 (2005).
  13. A. C. Simmonett, S. E. Wheeler, and H. F. Schaefer, "The Vinyl Radical and Fluorinated Vinyl Radicals, C2H3-nFn (n = 0-3), and Corresponding Anions: Comparison with the Isoelectronic Complexes [X•••YC≡CZ]-", J. Phys. Chem. A 108, 1608 (2004).