Marshall T McDonnell - Publications

Affiliations: 
Oak Ridge National Laboratory, Oak Ridge, TN, United States 
Area:
atomistic modeling, neutron scattering

14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Cladek BR, Everett SM, McDonnell MT, Tucker MG, Keffer DJ, Rawn CJ. Local structure and distortions of mixed methane-carbon dioxide hydrates. Communications Chemistry. 4: 6. PMID 36697523 DOI: 10.1038/s42004-020-00441-7  0.549
2021 Nicholson DM, Gao CY, McDonnell MT, Sluss CC, Keffer DJ. Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions. Entropy (Basel, Switzerland). 23. PMID 33671461 DOI: 10.3390/e23020234  0.516
2019 Zhang Y, McDonnell M, Liu W, Tucker MG. Reverse Monte Carlo modeling for low-dimensional systems Journal of Applied Crystallography. 52: 1035-1042. DOI: 10.1107/S160057671901080X  0.314
2019 Mangelis P, Koch RJ, Lei H, Neder RB, McDonnell MT, Feygenson M, Petrovic C, Lappas A, Bozin ES. Correlated disorder-to-order crossover in the local structure of KxFe2−ySe2−zSz Physical Review B. 100. DOI: 10.1103/Physrevb.100.094108  0.302
2019 Cladek BR, Everett SM, McDonnell MT, Tucker MG, Keffer DJ, Rawn CJ. Molecular Rotational Dynamics in Mixed CH4–CO2 Hydrates: Insights from Molecular Dynamics Simulations The Journal of Physical Chemistry C. 123: 26251-26262. DOI: 10.1021/Acs.Jpcc.9B06242  0.584
2018 Usher TM, Forrester JS, McDonnell M, Neuefeind J, Page K, Peterson PF, Levin I, Jones JL. Time-of-flight neutron total scattering with applied electric fields: and studies of ferroelectric materials. The Review of Scientific Instruments. 89: 092905. PMID 30278694 DOI: 10.1063/1.5037609  0.308
2018 Olds D, Mills RA, McDonnell MT, Liu J, Kim JR, Dunstan MT, Gaultois MW, Everett SM, Tucker MG, Page K. A high temperature gas flow environment for neutron total scattering studies of complex materials. The Review of Scientific Instruments. 89: 092906. PMID 30278690 DOI: 10.1063/1.5033464  0.32
2018 McDonnell MT, Keffer DJ. Reactive molecular dynamics simulations of an excess proton in polyethylene glycol-water solutions Molecular Simulation. 45: 381-393. DOI: 10.1080/08927022.2018.1557328  0.576
2018 Cladek BR, Everett SM, McDonnell MT, Tucker MG, Keffer DJ, Rawn CJ. Guest–Host Interactions in Mixed CH4–CO2 Hydrates: Insights from Molecular Dynamics Simulations The Journal of Physical Chemistry C. 122: 19575-19583. DOI: 10.1021/Acs.Jpcc.8B05228  0.593
2017 McNutt NW, McDonnell MT, Rios O, Keffer DJ. Li-ion Localization and Energetics as a Function of Anode Structure. Acs Applied Materials & Interfaces. PMID 28106979 DOI: 10.1021/Acsami.6B13748  0.562
2016 McDonnell MT, Greeley DA, Kit KM, Keffer DJ. Molecular Dynamics Simulations of Hydration Effects on Solvation, Diffusivity, and Permeability in Chitosan/Chitin Films. The Journal of Physical Chemistry. B. PMID 27487964 DOI: 10.1021/Acs.Jpcb.6B05999  0.595
2016 McDonnell MT, Xu H, Keffer DJ. 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. PMID 27218455 DOI: 10.1021/Acs.Jpcb.6B02445  0.581
2015 Deng S, Hassan MK, Nalawade A, Perry KA, More KL, Mauritz KA, McDonnell MT, Keffer DJ, Mays JW. High temperature proton exchange membranes with enhanced proton conductivities at low humidity and high temperature based on polymer blends and block copolymers of poly(1,3-cyclohexadiene) and poly(ethylene glycol) Polymer (United Kingdom). 77: 208-217. DOI: 10.1016/J.Polymer.2015.09.033  0.564
2013 McDonnell MT, Keffer DJ. Intrinsic relationships between proton conductivity and nanopore size and functionalization Microporous and Mesoporous Materials. 177: 17-24. DOI: 10.1016/J.Micromeso.2013.04.007  0.572
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