المؤلفون: Reisel Millan (9634439), Pieter Cnudde (5758502), Veronique van Speybroeck (6847466), Mercedes Boronat (1355010)

مصطلحات موضوعية: Biochemistry, Evolutionary Biology, Ecology, Developmental Biology, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, sup >+, selective catalytic reduction, ring windows connecting, recent experimental observations, enhanced sampling techniques, describe hopping events, copper cations acting, nox reaction conditions, 3 , 2 , two adjacent cavities, one single cavity, cha catalysts varies, cu ­( nh, cha catalysts, scr reaction, one cage, transport limitations, stable intermediates, simulations combined, significantly hindered, reacts spontaneously

Relation: https://figshare.com/articles/journal_contribution/Mobility_and_Reactivity_of_Cu_sup_sup_Species_in_Cu-CHA_Catalysts_under_NH_sub_3_sub_SCR-NOx_Reaction_Conditions_Insights_from_AIMD_Simulations/16634938

الاتاحة: https://doi.org/10.1021/jacsau.1c00337.s001

المؤلفون: Reisel Millan, Pieter Cnudde, Veronique van Speybroeck, Mercedes Boronat

مصطلحات موضوعية: Biochemistry, Evolutionary Biology, Ecology, Developmental Biology, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, sup >+, selective catalytic reduction, ring windows connecting, recent experimental observations, enhanced sampling techniques, describe hopping events, copper cations acting, nox reaction conditions, 3 , 2 , two adjacent cavities, one single cavity, cha catalysts varies, cu ­( nh, cha catalysts, scr reaction, one cage, transport limitations, stable intermediates, simulations combined, significantly hindered, reacts spontaneously

Relation: https://doi.org/10.1021/jacsau.1c00337.s001

الاتاحة: https://doi.org/10.1021/jacsau.1c00337.s001