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- W3217777416 abstract "Polarons play a vital role for many energy-conversion and storage processes; it is accordingly imperative to understand their system-specific formation and reactivity. In first-principles simulatio..." @default.
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- W3217777416 date "2021-11-29" @default.
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- W3217777416 title "Subspace Occupancy-Constraining Potentials for Modeling Polaron Formation" @default.
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- W3217777416 doi "https://doi.org/10.1021/acs.jpcc.1c07709" @default.
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