Publications

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Filters: Author is Son, Chang Yun  [Clear All Filters]
2018
J. G. McDaniel, Son, C. Yun, and Yethiraj, A., “Ab Initio Force Fields for Organic Anions: Properties of [BMIM][TFSI], [BMIM][FSI], and [BMIM][OTf] Ionic Liquids”, The Journal of Physical Chemistry B, vol. 122, pp. 4101-4114, 2018.
C. Yun Son, McDaniel, J. G., Cui, Q., and Yethiraj, A., “Conformational and Dynamic Properties of Poly(ethylene oxide) in BMIM + BF 4 – : A Microsecond Computer Simulation Study Using ab Initio Force Fields”, Macromolecules, vol. 51, pp. 5336-5345, 2018.
J. G. McDaniel and Son, C. Yun, “Ion Correlation and Collective Dynamics in BMIM/BF 4 Based Organic Electrolytes: From Dilute Solutions to the Ionic Liquid Limit”, The Journal of Physical Chemistry B, vol. 122, pp. 7154-7169, 2018.
2016
C. Yun Son, McDaniel, J. G., Schmidt, J. R., Cui, Q., and Yethiraj, A., “First-Principles United Atom Force Field for the Ionic Liquid BMIM + BF 4 – : An Alternative to Charge Scaling”, The Journal of Physical Chemistry B, vol. 120, no. 14, pp. 3560 - 3568, 2016.
J. G. McDaniel, Choi, E., Son, C. Yun, Schmidt, J. R., and Yethiraj, A., “Ab Initio Force Fields for Imidazolium-Based Ionic Liquids”, The Journal of Physical Chemistry B, vol. 120, no. 28, pp. 7024 - 7036, 2016.