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Computational Electrochemistry

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2 results in Keywords: Computational Electrochemistry

Theoretical and Computational Chemistry

A Computational Protocol Combining DFT and Cheminformatics for Prediction of pH-Dependent Redox Potentials

Rocco Peter Fornari, Piotr de Silva

Version 1 posted 09 June 2021

411

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Theoretical and Computational Chemistry

A Comparison of Modern Solvation Models for Oxygen Reduction at the Pt(111) Interface

Tom Demeyere, Chris-Kriton Skylaris

Version 2 posted 16 October 2024

281

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