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 Multilevel Computational Studies Reveal the Importance of Axial Ligand for Oxygen Reduction Reaction on Fe-N-C Materials ( Read More )
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 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 Binding of Radionuclides and Surrogate to 18-Crown-6 Ether by Density Functional Theory ( 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 Capturing the Coverage Dependence of Aromatics' Adsorption Through Mean-Field Models ( Read More )
FEBRUARY 15, 2024 Journal Article Single-step conversion of ethanol into n-butene-rich olefins over metal catalysts supported on ZrO2-SiO2 mixed oxides ( Read More )
FEBRUARY 15, 2024 Journal Article Bioinspired catalyst design principles: Progress in emulating properties of enzymes in synthetic catalysts ( Read More )
FEBRUARY 15, 2024 Report Demonstrate the Catalytic Conversion Fermentation Derived Intermediate to Isoprene - CRADA 365 (Abstract) ( Read More )
FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
FEBRUARY 15, 2024 Journal Article Promotion of adsorptive and catalytic properties of zeolitic Brønsted acid sites by proximal extra-framework Si(OH)x groups ( 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 Fe protein docking transduces conformational changes to the MoFe nitrogenase active site in a nucleotide-dependent manner ( 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 A Perspective on Sustainable Computational Chemistry Software Development and Integration ( 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 )