FEBRUARY 15, 2024 Journal Article Self-organization of 1-propanol at H-ZSM-5 Brønsted acid sites ( Read More )
FEBRUARY 15, 2024 Journal Article Speciation and reactivity control of Cu-Oxo clusters via extraframework Al in mordenite for methane oxidation ( Read More )
FEBRUARY 15, 2024 Journal Article Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( Read More )
FEBRUARY 15, 2024 Journal Article Mechanistic Insight into Low Temperature SCR by Ceria-Manganese Mixed Oxides Incorporated into Zeolites ( Read More )
FEBRUARY 15, 2024 Journal Article Triple excitations in Green's function coupled cluster solver for studies of strongly correlated systems in the framework of self-energy embedding theory ( Read More )
FEBRUARY 15, 2024 Journal Article Elucidating the Reaction Pathways of Veratrylglycero-ß-guaiacyl Ether Degradation Over Metal-Free Solid Acid Catalyst with Hydrogen ( Read More )
FEBRUARY 15, 2024 Journal Article Chemical Grafting of Highly Dispersed VOx/CeO2 for Increased Catalytic Activity in Methanol Oxidative Dehydrogenation ( Read More )
FEBRUARY 15, 2024 Journal Article Acetone to isobutene conversion on ZnxTiyOz: Effects of TiO2 facet ( Read More )
FEBRUARY 15, 2024 Journal Article Highly Active and Selective Sites for Propane Dehydrogenation in Zeolite Ga-BEA ( Read More )
FEBRUARY 15, 2024 Journal Article Elucidating the Effect of Ion Exchange Protocol on the Copper Exchange Efficacy, Copper Siting, and SCR activity in Cu-SSZ-13 ( Read More )
FEBRUARY 15, 2024 Journal Article Determining Catalytically Relevant Surfaces Through Coverage-Dependent Lattice Gas Models: Carbon Adsorption on Fe(100) ( Read More )
FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( Read More )
NOVEMBER 10, 2023 Journal Article Metal-organic framework supported single-site nickel catalysts for butene dimerization ( Read More )
OCTOBER 31, 2023 Report Understanding Technical and Psychosocial Barriers to Realizing FAIR Data Process ( Read More )
OCTOBER 25, 2023 Journal Article Quantifying the impact of electric fields on the local structure and migration of potassium ions at the orthoclase (001) surface ( Read More )
OCTOBER 20, 2023 Journal Article Preface to “From coadsorption and catalysis at solid surfaces to liquid- solid interfaces in theory and experiment, Published in Honor of Professor Robert K. Grasselli, Irsee IX Symposium Kloster Irsee, Germany 16–19 June 2022 (Irsee IX)” ( Read More )
OCTOBER 13, 2023 Journal Article Solvent-Treated Zirconium-Based Nanoporous UiO-66 Metal-Organic Frameworks for Enhanced CO2 Capture ( Read More )
OCTOBER 10, 2023 Report Graman: Graph Network Based Simulator for Forecasting Molecular Polarizability ( Read More )