Publications by authors named "Donald M Nicholson"

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Exploration of Entropy Pair Functional Theory.
Clifton C Sluss, Jace Pittman, Donald M Nicholson, David J Keffer

Entropy (Basel)· April 2022

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Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions.
Donald M Nicholson, C Y Gao, Marshall T McDonnell, Clifton C Sluss, David J Keffer

Entropy (Basel)· February 2021

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Molecular simulations of adsorption of RDX and TATP on IRMOF-1(Be).
Andrea Michalkova Scott, Tetyana Petrova, Khorgolkhuu Odbadrakh, Donald M Nicholson, Miguel Fuentes-Cabrera

J Mol Model· July 2012

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A coarse-grained model for polyethylene glycol polymer.
Qifei Wang, David J Keffer, Donald M Nicholson

J Chem Phys· December 2011

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Applications of a general random-walk theory for confined diffusion.
Elisa M Calvo-Muñoz, Myvizhi Esai Selvan, Ruichang Xiong, Madhusudan Ojha, David J Keffer, Donald M Nicholson

Phys Rev E Stat Nonlin Soft Matter Phys· January 2011

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Use of the Ornstein-Zernike Percus-Yevick equation to extract interaction potentials from pair correlation functions.
Qifei Wang, David J Keffer, Donald M Nicholson, J Brock Thomas

Phys Rev E Stat Nonlin Soft Matter Phys· June 2010

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Effect of charge distribution on RDX adsorption in IRMOF-10.
Ruichang Xiong, David J Keffer, Miguel Fuentes-Cabrera, Donald M Nicholson, Andrea Michalkova

Langmuir· April 2010

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Electronic structure and properties of isoreticular metal-organic frameworks: the case of M-IRMOF1 (M = Zn, Cd, Be, Mg, and Ca).
Miguel Fuentes-Cabrera, Donald M Nicholson, Bobby G Sumpter, Mike Widom

J Chem Phys· September 2005

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