| 1 |
Accurately Predicting CO2 Reactive Absorption Properties in Aqueous Alkanolamine Solutions by Molecular Simulation Requiring No Solvent Experimental Data
Noroozi J, Smith WR
Industrial & Engineering Chemistry Research, 59(40), 18254, 2020 |
| 2 |
Prediction of Alkanolamine pK(a) Values by Combined Molecular Dynamics Free Energy Simulations and ab Initio Calculations
Noroozi J, Smith WR
Journal of Chemical and Engineering Data, 65(3), 1358, 2020 |
| 3 |
An Efficient Molecular Simulation Methodology for Chemical Reaction Equilibria in Electrolyte Solutions: Application to CO2 Reactive Absorption
Noroozi J, Smith WR
Journal of Physical Chemistry A, 123(18), 4074, 2019 |
| 4 |
Microscopic Structure and Solubility Predictions of Multifunctional Solids in Supercritical Carbon Dioxide: A Molecular Simulation Study
Noroozi J, Paluch AS
Journal of Physical Chemistry B, 121(7), 1660, 2017 |
| 5 |
Solvation free energy and solubility of acetaminophen and ibuprofen in supercritical carbon dioxide: Impact of the solvent model
Noroozi J, Ghotbi C, Sardroodi JJ, Karirni-Sabet J, Robert MA
Journal of Supercritical Fluids, 109, 166, 2016 |
