Marshall McDonnell
Oak Ridge National Laboratory
18 papers found
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Dual Orbital Degeneracy Lifting in a Strongly Correlated Electron System
UploadEntropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions
Download from doi.orgLocal structure and distortions of mixed methane-carbon dioxide hydrates
Download from doi.orgReverse Monte Carlo modeling for low-dimensional systems
UploadReactive molecular dynamics simulations of an excess proton in polyethylene glycol-water solutions
UploadOn the Nanoscale Structure of KxFe2−yCh2 (Ch = S, Se): A Neutron Pair Distribution Function View
Download from doi.orgLi-Ion Localization and Energetics as a Function of Anode Structure
UploadIntrinsic relationships between proton conductivity and nanopore size and functionalization
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