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Quantum Monte Carlo Approach for Determining the Activation Barrier of Water Addition to Carbon Monoxide Adsorbed on Pt(111) within 1 kJ/mol

R Sharma T Rantala Philip Eric Hoggan 1 
1 IP - Institut Pascal
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https://hal.uca.fr/hal-03082525
Contributor : Christophe Tournayre Connect in order to contact the contributor
Submitted on : Friday, December 18, 2020 - 4:05:11 PM
Last modification on : Wednesday, February 24, 2021 - 4:16:03 PM

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PRES_CLERMONT | CNRS | INSTITUT_PASCAL

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R Sharma, T Rantala, Philip Eric Hoggan. Quantum Monte Carlo Approach for Determining the Activation Barrier of Water Addition to Carbon Monoxide Adsorbed on Pt(111) within 1 kJ/mol. Journal of Physical Chemistry C, American Chemical Society, 2020, 124 (48), pp.26232--26240. ⟨10.1021/acs.jpcc.0c07304⟩. ⟨hal-03082525⟩

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