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      • Javad Noroozi

      3 results in Javad Noroozi in Authors: Javad Noroozi

      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      Prediction of Alkanolamine pKa Values by Combined Molecular Dynamics Free Energy Simulations and ab initio Calculations

      , Authors: Javad Noroozi, William Smith
      Version 1 posted 06 December 2019
      2,144
      Downloads
      Category: Chemical Engineering and Industrial Chemistry
      ,
      Working Paper
      , Title:

      Force–Field–Based Computational Study of the Thermodynamics of a Large Set of Aqueous Alkanolamine Solvents for Post–Combustion CO2 Capture

      , Authors: Javad Noroozi, William Smith
      Version 1 posted 01 July 2021
      558
      Downloads
      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      Predicting Chemical Reaction Equilibrium in Dilute Solutions by Atomistic Simulation: Application to CO2 Reactive Absorption in Aqueous Primary Alkanolamine Solutions

      , Authors: Javad Noroozi, William Smith
      Version 1 posted 17 July 2020
      824
      Downloads
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