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Journal of the American Chemical Society|September 16, 2015
Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and RatesNils E R Zimmermann, Bart Vorselaars, David Quigley, et al.The Journal of Physical Chemistry Letters|May 30, 2018
The Clathrate-Water Interface Is OleophilicAndressa A Bertolazzo, Pavithra M Naullage, Baron Peters, et al.Journal of Computer-Aided Molecular Design|March 1, 2020
Performing solvation free energy calculations in LAMMPS using the decoupling approachVikram Khanna, Jacob I Monroe, Michael F Doherty, et al.Journal of the American Chemical Society|November 15, 2012
Homogeneous nucleation of methane hydrates: unrealistic under realistic conditionsBrandon C Knott, Valeria Molinero, Michael F Doherty, et al.The Journal of Chemical Physics|January 14, 2014
Salting out the polar polymorph: analysis by alchemical solvent transformationNathan Duff, Yuba Raj Dahal, Jeremy D Schmit, et al.The Journal of Chemical Physics|December 3, 2016
Energetic and entropic components of the Tolman length for mW and TIP4P/2005 water nanodropletsMark N Joswiak, Ryan Do, Michael F Doherty, et al.The Journal of Chemical Physics|December 17, 2009
Estimating diffusivity along a reaction coordinate in the high friction limit: Insights on pulse times in laser-induced nucleationBrandon C Knott, Nathan Duff, Michael F Doherty, et al.The Journal of Physical Chemistry. B|July 21, 2006
Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5Andreas Heyden, Baron Peters, Alexis T Bell, et al.The Journal of Physical Chemistry Letters|August 22, 2015
Size-Dependent Surface Free Energy and Tolman-Corrected Droplet Nucleation of TIP4P/2005 WaterMark N Joswiak, Nathan Duff, Michael F Doherty, et al.Journal of Chemical Theory and Computation|April 24, 2023
Site-Averaged Ab Initio Kinetics: Importance Learning for Multistep Reactions on Amorphous SupportsArmin Shayesteh Zadeh, Salman A Khan, Craig Vandervelden, et al.Pageof 12