William R Smith

3PUBLICATIONS
2CO-AUTHORS
Chemical thermodynamics and energeticsComputational chemistry
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Publications (3)

|Aug 26, 2021
Force-Field-Based Computational Study of the Thermodynamics of a Large Set of Aqueous Alkanolamine Solvents for Post-Combustion CO2 Capture.

Javad Noroozi, William R Smith

|Jan 14, 2020
Alchemical Hydration Free-Energy Calculations Using Molecular Dynamics with Explicit Polarization and Induced Polarity Decoupling: An On-the-Fly Polarization Approach.

Braden D Kelly, William R Smith

|Apr 06, 2019
An Efficient Molecular Simulation Methodology for Chemical Reaction Equilibria in Electrolyte Solutions: Application to CO2 Reactive Absorption.

Javad Noroozi, William R Smith

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Frequent Collaborators

1 joint publications

Braden D Kelly

1 joint publications

Javad Noroozi