Computing RPA Adsorption Enthalpies by Machine Learning Thermodynamic Perturbation Theory - Université de Lorraine Access content directly
Journal Articles Journal of Chemical Theory and Computation Year : 2019
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hal-03603264 , version 1 (09-03-2022)

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Bilal Chehaibou, Michael Badawi, Tomáš Bučko, Timur Bazhirov, Dario Rocca. Computing RPA Adsorption Enthalpies by Machine Learning Thermodynamic Perturbation Theory. Journal of Chemical Theory and Computation, 2019, 15 (11), pp.6333-6342. ⟨10.1021/acs.jctc.9b00782⟩. ⟨hal-03603264⟩
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