| 1 |
Amine-Functionalized Task-Specific Ionic Liquids: A Mechanistic Explanation for the Dramatic Increase in Viscosity upon Complexation with CO2 from Molecular Simulation
Gutowski KE, Maginn EJ
Journal of the American Chemical Society, 130(44), 14690, 2008 |
| 2 |
Accurate thermochemical properties for energetic materials applications. II. Heats of formation of imidazolium-, 1,2,4-triazolium-, and tetrazolium-based energetic salts from isodesmic and lattice energy calculations
Gutowski KE, Rogers RD, Dixon DA
Journal of Physical Chemistry B, 111(18), 4788, 2007 |
| 3 |
Interactions of 1-methylimidazole with UO2(CH3CO2)(2) and UO2(NO3)(2): Structural, spectroscopic, and theoretical evidence for imidazole binding to the uranyl ion
Gutowski KE, Cocalia VA, Griffin ST, Bridges NJ, Dixon DA, Rogers RD
Journal of the American Chemical Society, 129(3), 526, 2007 |
| 4 |
Predicting the energy of the water exchange reaction and free energy of solvation for the uranyl ion in aqueous solution
Gutowski KE, Dixon DA
Journal of Physical Chemistry A, 110(28), 8840, 2006 |
| 5 |
Accurate thermochemical properties for energetic materials applications. I. Heats of formation of nitrogen-containing heterocycles and energetic precursor molecules from electronic structure theory
Gutowski KE, Rogers RD, Dixon DA
Journal of Physical Chemistry A, 110(42), 11890, 2006 |
| 6 |
Ab initio prediction of the gas- and solution-phase acidities of strong Bronsted acids: The calculation of pK(a) values less than -10
Gutowski KE, Dixon DA
Journal of Physical Chemistry A, 110(43), 12044, 2006 |
| 7 |
Complexation of the carbonate, nitrate, and acetate anions with the uranyl dication: Density functional studies with relativistic effective core potentials
de Jong WA, Apra E, Windus TL, Nichols JA, Harrison RJ, Gutowski KE, Dixon DA
Journal of Physical Chemistry A, 109(50), 11568, 2005 |
| 8 |
Prediction of the formation and stabilities of energetic salts and ionic liquids based on ab initio electronic structure calculations
Gutowski KE, Holbrey JD, Rogers RD, Dixon DA
Journal of Physical Chemistry B, 109(49), 23196, 2005 |
| 9 |
Controlling the aqueous miscibility of ionic liquids: Aqueous biphasic systems of water-miscible ionic liquids and water-structuring salts for recycle, metathesis, and separations
Gutowski KE, Broker GA, Willauer HD, Huddleston JG, Swatloski RP, Holbrey JD, Rogers RD
Journal of the American Chemical Society, 125(22), 6632, 2003 |
