Papers with K. N. Houk

  1. O. Khakshoor, S. E. Wheeler, K. N. Houk, and E. T. Kool, "Measurement and Theory of Hydrogen Bonding Contribution to Isosteric DNA Base Pairs", J. Am. Chem. Soc. 134, 3154 (2012).
  2. 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).
  3. 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).
  4. S. E. Wheeler, A. J. McNeil, P. Müller, T. M. Swager, and K. N. Houk, "Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions", J. Am. Chem. Soc. 132, 3304 (2010).
  5. 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).
  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 K. N. Houk, "Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes", J. Chem. Theory Comput. 5, 2301 (2009).
  9. 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).
  10. 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).
  11. S. E. Wheeler and K. N. Houk, "Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions", Mol. Phys. 107, 749 (2009).
  12. D. H. Ess, S. E. Wheeler, R. G. Iafe, L. Xu, N Çelebi-Ölçüm, and K. N. Houk, "Bifurcations on Potential Energy Surfaces of Organic Reactions", Angew. Chem. Int. Ed. 47, 7592 (2008).
  13. S. E. Wheeler and K. N. Houk, "Substituent Effects in the Benzene Dimer are Due to Direct Interactions of the Substituents with the Unsubstituted Benzene", J. Am. Chem. Soc. 130, 10854 (2008).
  14. 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).