| 1 |
A Blind Challenge for Computational Solvation Free Energies: Introduction and Overview
Guthrie JP
Journal of Physical Chemistry B, 113(14), 4501, 2009 |
| 2 |
By How Much is Protonated Benzene Stabilized by Coordination of Iron Tricarbonyl?
Galvin M, Guthrie JP, McDonnell CM, O'Ferrall RAM, Pelet S
Journal of the American Chemical Society, 131(1), 34, 2009 |
| 3 |
Use of DFT methods for the calculation of the entropy of gas phase organic molecules: An examination of the quality of results from a simple approach
Guthrie JP
Journal of Physical Chemistry A, 105(37), 8495, 2001 |
| 4 |
Heats of formation from DFT calculations: An examination of several parameterizations
Guthrie JP
Journal of Physical Chemistry A, 105(40), 9196, 2001 |
| 5 |
Hydration of carbonyl compounds, an analysis in terms of no barrier theory: Prediction of rates from equilibrium constants and distortion energies
Guthrie JP, Pitchko V
Journal of the American Chemical Society, 122(23), 5520, 2000 |
| 6 |
Hydration of carbonyl compounds, an analysis in terms of multidimensional marcus theory
Guthrie JP
Journal of the American Chemical Society, 122(23), 5529, 2000 |
| 7 |
Aldol condensation of trifluoroacetophenone and acetone : Testing a prediction
Guthrie JP, Barker JA
Journal of the American Chemical Society, 120(27), 6698, 1998 |
| 8 |
Prediction of rate constants for cyanohydrin formation using equilibrium constants and distortion energies
Guthrie JP
Journal of the American Chemical Society, 120(8), 1688, 1998 |
| 9 |
Prediction of the Rate Constants for Proton Abstraction from Carbon Acids, Using a Simple-Model and Multidimensional Marcus Theory
Guthrie JP
Journal of the American Chemical Society, 119(5), 1151, 1997 |
| 10 |
Intramolecular Aldol Condensations - Rate and Equilibrium-Constants
Guthrie JP, Guo JN
Journal of the American Chemical Society, 118(46), 11472, 1996 |
