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Density functional theory-based electrochemical models for the oxygen reduction reaction: Comparison of modeling approaches for electric field and solvent effects.
Kuan-Yu Yeh
Michael J. Janik
Published in:
J. Comput. Chem. (2011)
Keyphrases
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electric field
mathematical framework
neural network
statistical models
feature selection
probabilistic model
probability distribution
theoretical framework
experimental data
computational models
formal models
failure modes
high temperature
imprecise probabilities