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Fundamental and Computational Sciences Directorate

Staff information

Mal Soon Lee

Basic & Appl Molec Foundations
Post Doctorate RA B
Pacific Northwest National Laboratory
PO Box 999
MSIN: K1-83
Richland, WA 99352

PNNL Publications


  • Alexopoulos K, MS Lee, Y Liu, Y Zhi, Y Liu, MF Reyniers, GB Marin, VA Glezakou, RJ Rousseau, and JA Lercher. 2016. "Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy and Adsorption Free Energy of Ethanol in H-ZSM-5." Journal of Physical Chemistry C 120(13):7172-7182.  doi:10.1021/acs.jpcc.6b00923
  • Cantu Cantu D, JT Lee, MS Lee, DJ Heldebrant, PK Koech, CJ Freeman, RJ Rousseau, and VA Glezakou. 2016. "Dynamic Acid/Base Equilibrium in Single Component Switchable Ionic Liquids and Consequences on Viscosity." Journal of Physical Chemistry Letters 7(9):1646-1652.  doi:10.1021/acs.jpclett.6b00395
  • Lee MS, W Um, G Wang, AA Kruger, WW Lukens, RJ Rousseau, and VA Glezakou. 2016. "Impeding 99Tc(IV) mobility in novel waste forms." Nature Communications 7:Article No. 12067.  doi:10.1038/ncomms12067


  • Lee MS, BP McGrail, RJ Rousseau, and VA Glezakou. 2015. "Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulations." Scientific Reports 5:Article No. 14857.  doi:10.1038/srep14857
  • Schaef HT, JS Loring, VA Glezakou, QR Miller, J Chen, AT Owen, MS Lee, ES Ilton, AR Felmy, BP McGrail, and CJ Thompson. 2015. "Competitive Sorption of CO2 and H2O in 2:1 Layer Phyllosilicates." Geochimica et Cosmochimica Acta 16:248-257.  doi:10.1016/j.gca.2015.03.027


  • Lee MS, BP McGrail, and VA Glezakou. 2014. "Microstructural Response of Variably Hydrated Ca-Rich Montmorillonite to Supercritical CO2." Environmental Science & Technology 48(15):8612-8619.  doi:10.1021/es5005889

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