David Keffer

The University of Tennessee 
Chemical Engineering
"David Keffer"
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McNutt NW, McDonnell MT, Rios O, et al. (2017) Li-ion Localization and Energetics as a Function of Anode Structure. Acs Applied Materials & Interfaces
McDonnell MT, Greeley DA, Kit KM, et al. (2016) Molecular Dynamics Simulations of Hydration Effects on Solvation, Diffusivity, and Permeability in Chitosan/Chitin Films. The Journal of Physical Chemistry. B
McDonnell MT, Xu H, Keffer DJ. (2016) Ab Initio Molecular Dynamics Simulations of an Excess Proton in a Triethylene Glycol-Water Solution: Solvation Structure, Mechanism and Kinetics. The Journal of Physical Chemistry. B
Murdock CR, McNutt NW, Keffer DJ, et al. (2014) Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks. Journal of the American Chemical Society. 136: 671-8
Calvo-Muñoz EM, Selvan ME, Xiong R, et al. (2011) Applications of a general random-walk theory for confined diffusion. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 83: 011120
Selvan ME, Calvo-Muñoz E, Keffer DJ. (2011) Toward a predictive understanding of water and charge transport in proton exchange membranes. The Journal of Physical Chemistry. B. 115: 3052-61
Jiang B, Selvan ME, Keffer DJ, et al. (2009) A reactive molecular dynamics study of the thermal decomposition of perfluorodimethyl ether. The Journal of Physical Chemistry. B. 113: 13670-7
Cui S, Liu J, Selvan ME, et al. (2008) Comparison of the hydration and diffusion of protons in perfluorosulfonic acid membranes with molecular dynamics simulations. scui@utk.edu. The Journal of Physical Chemistry. B. 112: 13273-84
Jiang B, Keffer DJ, Edwards BJ. (2008) A quantum mechanical study of the decomposition of CF3OCF3 and CF3CF2OCF2CF3 in the presence of AlF3. The Journal of Physical Chemistry. A. 112: 2604-9
Fern JT, Keffer DJ, Steele WV. (2007) Vapor-liquid equilibrium of ethanol by molecular dynamics simulation and Voronoi tessellation. The Journal of Physical Chemistry. B. 111: 13278-86
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