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: Chengeng Li (5549219), Pau Ferri (7871453), Cecilia Paris (2413978), Manuel Moliner (1621978), Mercedes Boronat (1355010), Avelino Corma (771115)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Microbiology, Genetics, Evolutionary Biology, Immunology, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, acid sites, target reaction, Selectively Manipulating Mechanisti., ITQ -27, zeolite catalyst, diaryl-mediated mechanism, Zeolite Catalysts, Active Site Environment, DEB-Bz transalkylation, alkyl transfer pathway, scaffold structure, activation energy

Relation: https://figshare.com/articles/journal_contribution/Design_and_Synthesis_of_the_Active_Site_Environment_in_Zeolite_Catalysts_for_Selectively_Manipulating_Mechanistic_Pathways/14938956

الاتاحة: https://doi.org/10.1021/jacs.1c04818.s001

المؤلفون: Sergio Rojas-Buzo (9539642), Patricia Concepción (1576378), Avelino Corma (771115), Manuel Moliner (1621978), Mercedes Boronat (1355010)

مصطلحات موضوعية: Biochemistry, Microbiology, Pharmacology, Immunology, Cancer, Chemical Sciences not elsewhere classified, FTIR, Hf-Beta, catalyst, amines, MFI, Lewis acid zeolite, species, tandem N-alkylation reaction, Hf, DFT, Lewis acid sites, hydrogen borrowing pathway, benzyl alcohol, MCM, Hf-hydride, N-alkylation reaction

Relation: https://figshare.com/articles/journal_contribution/_i_In-Situ_i_-Generated_Active_Hf-hydride_in_Zeolites_for_the_Tandem_N_Alkylation_of_Amines_with_Benzyl_Alcohol/14802674

الاتاحة: https://doi.org/10.1021/acscatal.1c01739.s001

المؤلفون: Estefanía Tiburcio (7047275), Rossella Greco (6875969), Marta Mon (1527757), Jordi Ballesteros-Soberanas (7108748), Jesús Ferrando-Soria (1483564), Miguel López-Haro (2050468), Juan Carlos Hernández-Garrido (10096614), Judit Oliver-Meseguer (1576384), Carlo Marini (3225807), Mercedes Boronat (1355010), Donatella Armentano (643240), Antonio Leyva-Pérez (1530859), Emilio Pardo (1279560)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Biotechnology, Computational Biology, Space Science, Chemical Sciences not elsewhere classified, gram-scale preparation, MOF, SCXRD, Pd SACs, additive, palladium salts, benzoic acids, Benzoic Acids Metal single-atom cat., solvent, Benzyl Alcohols, metal speciation, metal atom efficiency, Solvent-Free Aerobic Oxidation, single-crystal X-ray diffraction, implementation

Relation: https://figshare.com/articles/journal_contribution/Soluble_MOF-Supported_Palladium_Single_Atoms_Catalyze_the_Ligand_Additive_and_Solvent-Free_Aerobic_Oxidation_of_Benzyl_Alcohols_to_Benzoic_Acids/13712376

الاتاحة: https://doi.org/10.1021/jacs.0c12367.s001

المؤلفون: Sergio Rojas-Buzo (9539642), Avelino Corma (771115), Mercedes Boronat (1355010), Manuel Moliner (1621978)

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, glucose transformation reactions, Zr-MOF, Lewis acid sites, glucose epimerization route, intramolecular, glucose epimerization, activation energy barrier, shift, Lewis acid Zr -β zeolite, Zr -β catalysts, MOF catalyst designs, 13 C 1-labeled glucose, mannose, 13 C NMR study

Relation: https://figshare.com/articles/journal_contribution/Unraveling_the_Reaction_Mechanism_and_Active_Sites_of_Metal_Organic_Frameworks_for_Glucose_Transformations_in_Water_Experimental_and_Theoretical_Studies/13116260

الاتاحة: https://doi.org/10.1021/acssuschemeng.0c04398.s001