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 Journal Article Physics-informed machine learning of the correlation functions in bulk fluids ( Read More )
FEBRUARY 15, 2024 Journal Article Dynamical electron correlation and the chemical bond. II. Recoupled pair bonds in the a4 - states of CH and CF ( 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 Structure and Stability of the Iodide Elpasolite, Cs2AgBiI6 ( 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 Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( 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 The Evolution of Solvation Symmetry and Composition in Zn Halide Aqueous Solutions from Dilute to Extreme Concentrations ( Read More )
FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( 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 Speciation and reactivity control of Cu-Oxo clusters via extraframework Al in mordenite for methane oxidation ( Read More )
FEBRUARY 15, 2024 Journal Article Exploring NaCl-PuCl3 Molten Salts with Machine Learning Interatomic Potentials and Graph Theory ( Read More )
FEBRUARY 15, 2024 Journal Article Efficient and Selective Dual-Pathway Polyolefin Hydro-Conversion over Unexpectedly Bifunctional M/TiO2-Anatase Catalysts ( Read More )
FEBRUARY 15, 2024 Journal Article Chemical Grafting of Highly Dispersed VOx/CeO2 for Increased Catalytic Activity in Methanol Oxidative Dehydrogenation ( Read More )