FEBRUARY 15, 2024 Journal Article Binding of Radionuclides and Surrogate to 18-Crown-6 Ether by Density Functional Theory ( Read More )
FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
FEBRUARY 15, 2024 Report Demonstrate the Catalytic Conversion Fermentation Derived Intermediate to Isoprene - CRADA 365 (Abstract) ( 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 )
SEPTEMBER 23, 2023 Report Direct conversion of syngas to lower olefins precursors of jet fuel and chemicals ( Read More )
SEPTEMBER 23, 2023 Report Conversion of Syngas and CO2 to Light Olefins using Multi-Functional Catalysts ( Read More )
SEPTEMBER 22, 2023 Report Alkaline Modified Solid Oxide Catalysts for Condensation Reactions between Biomolecules ( Read More )
SEPTEMBER 22, 2023 Report Ab Initio Simulations of Tritium Diffusion in Al2O and Intermetallic Al12(TM)2.34 Aluminide Coating Phases ( Read More )
SEPTEMBER 20, 2023 Journal Article Activity of Brønsted Acid Sites in UiO-66 for Cyclohexanol Dehydration ( Read More )
SEPTEMBER 20, 2023 Journal Article Validation of the Cossee-Arlman Mechanism for Propylene Oligomerization on Ni/UiO-66 ( Read More )
SEPTEMBER 19, 2023 Journal Article Tuning the reactivity of carbon surfaces with oxygen-containing functional groups ( Read More )
SEPTEMBER 14, 2023 Journal Article A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions ( Read More )