Found 5 results
Filters: Author is Arun Yethiraj [Clear All Filters]
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2019. Influence of Charge Scaling on the Solvation Properties of Ionic Liquid Solutions. Journal of Physical Chemistry B. ASAP
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2016. Ab Initio Force Fields for Imidazolium-Based Ionic Liquids. J. Phys. Chem. B. 120(28):7024-7036.
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2016. Conformational and Dynamic Properties of Poly(ethylene oxide) in an Ionic Liquid: Development and Implementation of a First-Principles Force Field. Journal of Physical Chemistry B. 120(1):231-243.
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2016. First Principles United Atom Force Field for the Ionic Liquid [BMIM][BF4] : An Alternative to Charge Scaling. J. Phys. Chem B. 120(14):3560-3568.
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2014. First-Principles, Physically Motivated Force Field for the Ionic Liquid [BMIM][BF4]. The Journal of Physical Chemistry Letters. 5:2670–2674.