FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
FEBRUARY 15, 2024 Journal Article Alkene adsorption and cracking on acidic zeolites – A gradual process of understanding ( Read More )
FEBRUARY 15, 2024 Journal Article Harnessing the Hybridization of a Metal-Organic Framework and Superbase-Derived Ionic Liquid for High-Performance Direct Air Capture of CO2 ( Read More )
FEBRUARY 15, 2024 Journal Article (NH4)2[UO2Cl4]·2H2O, a new uranyl tetrachloride with ammonium charge-balancing cations ( 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 Efficient and Selective Dual-Pathway Polyolefin Hydro-Conversion over Unexpectedly Bifunctional M/TiO2-Anatase Catalysts ( 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 Fe protein docking transduces conformational changes to the MoFe nitrogenase active site in a nucleotide-dependent manner ( 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 A Perspective on Sustainable Computational Chemistry Software Development and Integration ( 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 Three-dimensional feature matching improves coverage for single-cell proteomics based on ion mobility filtering ( 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 Elucidating the Water-Anatase TiO2(101) Interface Structure Using Infrared Signatures and Molecular Dynamics ( Read More )