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3 results in Authors: Andrew Peterson

Theoretical and Computational Chemistry

On the equivalence of grand-canonical and capacitor-based models in first-principle electrochemistry

Georg Kastlunger, Sudarshan Vijay, Shubham Sharma, Xi Chen, Andrew Peterson

Version 1 posted 11 December 2023

194

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Unifying thermochemistry concepts in computational heterogeneous catalysis

Bjarne Kreitz, Gabriel S. Gusmão, Dingqi Nai, Sushree Jagriti Sahoo, Andrew A. Peterson, David H. Bross, C. Franklin Goldsmith, Andrew J. Medford

Version 1 posted 02 August 2024

386

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Influence of coverage dependence on the thermophysical properties of adsorbates and its impact on microkinetic models

Jongyoon Bae, Bjarne Kreitz, Andrew Peterson, Claude Franklin Goldsmith

Version 1 posted 21 November 2024

0

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