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Entropy (Basel, Switzerland)|May 28, 2022
Exploration of Entropy Pair Functional TheoryClifton C Sluss, Jace Pittman, Donald M Nicholson, et al.Entropy (Basel, Switzerland)|March 6, 2021
Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase TransitionsDonald M Nicholson, C Y Gao, Marshall T McDonnell, et al.The Journal of Chemical Physics|December 14, 2011
A coarse-grained model for polyethylene glycol polymerQifei Wang, David J Keffer, Donald M NicholsonPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 28, 2010
Use of the Ornstein-Zernike Percus-Yevick equation to extract interaction potentials from pair correlation functionsQifei Wang, David J Keffer, Donald M Nicholson, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|March 17, 2011
Applications of a general random-walk theory for confined diffusionElisa M Calvo-Muñoz, Myvizhi Esai Selvan, Ruichang Xiong, et al.Langmuir : the ACS Journal of Surfaces and Colloids|March 9, 2010
Effect of charge distribution on RDX adsorption in IRMOF-10Ruichang Xiong, David J Keffer, Miguel Fuentes-Cabrera, et al.The Journal of Chemical Physics|January 6, 2006
An examination of the validity of nonequilibrium molecular-dynamics simulation algorithms for arbitrary steady-state flowsBrian J Edwards, Chunggi Baig, David J KefferThe Journal of Physical Chemistry. B|May 25, 2016
Ab Initio Molecular Dynamics Simulations of an Excess Proton in a Triethylene Glycol-Water Solution: Solvation Structure, Mechanism, and KineticsMarshall T McDonnell, Haixuan Xu, David J KefferACS Omega|May 25, 2026
Capacity and Selectivity for Carbon Dioxide on Lignin-Derived Adsorbents via Molecular SimulationMohsen Samandari, David P Harper, David J KefferThe Journal of Physical Chemistry. A|February 19, 2008
A quantum mechanical study of the decomposition of CF3OCF3 and CF3CF2OCF2CF3 in the presence of AlF3Bangwu Jiang, David J Keffer, Brian J EdwardsPageof 4