Solvation free energy and solubility of acetaminophen and ibuprofen in supercritical carbon dioxide: Impact of the solvent model J Noroozi, C Ghotbi, JJ Sardroodi, J Karimi-Sabet, MA Robert The Journal of Supercritical Fluids 109, 166-176, 2016 | 33 | 2016 |
Microscopic structure and solubility predictions of multifunctional solids in supercritical carbon dioxide: a molecular simulation study J Noroozi, AS Paluch The Journal of Physical Chemistry B 121 (7), 1660-1674, 2017 | 19 | 2017 |
An Efficient Molecular Simulation Methodology for Chemical Reaction Equilibria in Electrolyte Solutions: Application to CO2 Reactive Absorption J Noroozi, WR Smith The Journal of Physical Chemistry A 123 (18), 4074-4086, 2019 | 16 | 2019 |
Accurately Predicting CO2 Reactive Absorption Properties in Aqueous Alkanolamine Solutions by Molecular Simulation Requiring No Solvent Experimental Data J Noroozi, WR Smith Industrial & Engineering Chemistry Research 59 (40), 18254-18268, 2020 | 11 | 2020 |
Force-Field-Based Computational Study of the Thermodynamics of a Large Set of Aqueous Alkanolamine Solvents for Post-Combustion CO2 Capture J Noroozi, WR Smith Journal of Chemical Information and Modeling 61 (9), 4497-4513, 2021 | 9 | 2021 |
Prediction of Alkanolamine pKa Values by Combined Molecular Dynamics Free Energy Simulations and ab Initio Calculations J Noroozi, WR Smith Journal of Chemical & Engineering Data 65 (3), 1358-1368, 2019 | 9 | 2019 |
Design of Improved Carbon Capture Solvents Using Molecular Simulation J Noroozi University of Waterloo, 2021 | | 2021 |
Molecular Simulation of pK Values and CO2 Reactive Absorption Prediction J Noroozi, WR Smith, WR Smith, WR Smith, WR Smith The Three Sisters: Acid Gas Injection, Carbon Capture and Sequestration, and …, 2019 | | 2019 |