| 1 |
Vibrational Characterization of Microsolvated Electrocatalytic Water Oxidation Intermediate: [Ru(tpy)(bpy)(OH)(2+)(H2O)(0-4)
Duffy EM, Voss JM, Garand E
Journal of Physical Chemistry A, 121(29), 5468, 2017 |
| 2 |
Probing the Hydrogen-Bonded Water Network at the Active Site of a Water Oxidation Catalyst: [Ru(bpy)(tpy)(H2O)](2+)center dot(H2O)(0-4)
Duffy EM, Marsh BM, Garand E
Journal of Physical Chemistry A, 119(24), 6326, 2015 |
| 3 |
Intramolecular Hydrogen Bonding Motifs in Deprotonated Glycine Peptides by Cryogenic Ion Infrared Spectroscopy
Marsh BM, Duffy EM, Soukup MT, Zhou J, Garand E
Journal of Physical Chemistry A, 118(22), 3906, 2014 |
| 4 |
Prediction of properties from simulations: Free energies of solvation in hexadecane, octanol, and water
Duffy EM, Jorgensen WL
Journal of the American Chemical Society, 122(12), 2878, 2000 |
| 5 |
Monte Carlo investigations of selective anion complexation by a bis(phenylurea) p-tert-butylcalix[4]arene
McDonald NA, Duffy EM, Jorgensen WL
Journal of the American Chemical Society, 120(20), 5104, 1998 |
| 6 |
Free-Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the Opls All-Atom Model
Kaminski G, Duffy EM, Matsui T, Jorgensen WL
Journal of Physical Chemistry, 98(49), 13077, 1994 |
| 7 |
Structure and Binding for Complexes of Rebeks Acridine Diacid with Pyrazine, Quinoxaline, and Pyridine from Monte-Carlo Simulations with an All-Atom Force-Field
Duffy EM, Jorgensen WL
Journal of the American Chemical Society, 116(14), 6337, 1994 |
