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Fundamental and Computational Sciences Directorate

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Santanu Roy

Chemical Physics & Analysis
Post Doctorate RA B
Pacific Northwest National Laboratory
PO Box 999
MSIN: K1-83
Richland, WA 99352

PNNL Publications


  • Roy S, and LX Dang. 2016. "Computer simulation of methanol exchange dynamics around cations and anions." Journal of Physical Chemistry B 120(8):1440-1445.  doi:10.1021/acs.jpcb.5b04174
  • Roy S, MD Baer, CJ Mundy, and GK Schenter. 2016. "Reaction Rate Theory in Coordination Number Space: An Application to Ion Solvation." Journal of Physical Chemistry C 120(14):7597-7605.  doi:10.1021/acs.jpcc.6b00443


  • Roy S, and LX Dang. 2015. "Water exchange dynamics around H3O+ and OH- ions." Chemical Physics Letters 628:30-34.  doi:10.1016/j.cplett.2015.04.002

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