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Quantum Monte Carlo Calculations for Industrial Catalysts: Accurately Evaluating the H2 Dissociation Reaction Barrier on Pt(111)

Philip Eric Hoggan 1
1 IP - Institut Pascal
Keywords : Heterogeneous Catalysis Sustainable Energy
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Journal articles
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https://hal.uca.fr/hal-01914159
Contributor : Christophe Tournayre <>
Submitted on : Tuesday, November 6, 2018 - 5:01:34 PM
Last modification on : Wednesday, February 24, 2021 - 4:16:02 PM

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  • HAL Id : hal-01914159, version 1

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PRES_CLERMONT | CNRS | INSTITUT_PASCAL | SIGMA-CLERMONT

Citation

Philip Eric Hoggan. Quantum Monte Carlo Calculations for Industrial Catalysts: Accurately Evaluating the H2 Dissociation Reaction Barrier on Pt(111). Advances in Quantum Chemistry, 2018, 76, pp.273. ⟨hal-01914159⟩

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