CHBC Faculty Publications

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Author: Rogers, Timothy Ryan

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TitlePublication NamePub. TypeYear
Accurate MP2-based force fields predict hydration free energies for simple alkanes and alcohols in good agreement with experimentsJournal of Chemical PhysicsJournal Article2020
Comparing Alchemical Free Energy Estimates to Experimental Values Based on the Ben-Naim Formula: How Much Agreement Can We Expect?Journal of Physical Chemistry BJournal Article2020
Performing the Millikan experiment at the molecular scale: Determination of atomic Millikan-Thomson charges by computationally measuring atomic forcesJournal of Chemical PhysicsJournal Article2017
Possible Evidence for a New Form of Liquid Buried in the Surface Tension of Supercooled WaterScientific ReportsJournal Article2016
Computational investigation of the surface tension of supercooled waterAbstracts of Papers of the American Chemical SocietyAbstract2015