OCTOBER 2, 2025 Journal Article Extending Badger’s Rule. I. The Relationship between Energy and Structure in Hydrogen Bonds ( Read More )
OCTOBER 2, 2025 Journal Article Projector-Based Quantum Embedding Study of Iron Complexes ( Read More )
SEPTEMBER 5, 2025 Journal Article Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights ( Read More )
SEPTEMBER 3, 2025 Journal Article Zavitsas’ Hydration Model for Electrolytes Only Stable in the Presence of Another: NaAl(OH)4 in Aqueous NaOH Solution ( Read More )
SEPTEMBER 3, 2025 Journal Article The XPS of Pyridine: A Combined Theoretical and Experimental Analysis ( Read More )
SEPTEMBER 3, 2025 Journal Article Deformation band corrosion as a result of applied stress and cold-work in 304 stainless steel in simulated pressurized water reactor primary water conditions ( Read More )
AUGUST 27, 2025 Conference Paper Machine Learning Applied to Thermally Aged Cable Reflectometry ( Read More )
AUGUST 14, 2025 Journal Article Effect of Adsorbed Carboxylates on the Dissolution of Boehmite Nanoplates in Highly Alkaline Solution ( Read More )
AUGUST 14, 2025 Journal Article Trigonal Planar Bis(carbene)Cu(I) Complexes Enable Divergent H2 Activation with H2O for Accelerated Olefin Hydrogenation ( Read More )
AUGUST 13, 2025 Journal Article COLUMBUS - An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics ( Read More )
AUGUST 2, 2025 Journal Article Microstructure and Temperature Dependent Indentation Response of Additively Manufactured Precipitation-strengthened Al0.3Ti0.2Co0.7CrFeNi1.7 High Entropy Alloy ( Read More )
JULY 24, 2025 Conference Paper Comparative Effects of Radiation Sterilization Modality on Medical PVC Tubing ( Read More )
JULY 24, 2025 Journal Article First principles study of molecular hydrogen activation by defects in boron nitride ( Read More )
JUNE 27, 2025 Journal Article Antiviral discovery using sparse datasets by integrating experiments, molecular simulations, and machine learning ( Read More )
JUNE 26, 2025 Journal Article Determining Hexavalent Chromium Transport Properties in Alkaline Nuclear Waste Using Nuclear Magnetic Resonance Spectroscopy ( Read More )
JUNE 19, 2025 Journal Article Exploring the Nexus of Many-Body Theories through Neural Network Techniques: the Tangent Model ( Read More )
MAY 23, 2025 Journal Article Graph Characterization of Higher-Order Structure in Atmospheric Chemical Reaction Mechanisms ( Read More )
MAY 21, 2025 Journal Article Exceptional Radiation Resistance of Hardened Amorphous SiC under High-Temperature Hydrogen Ion Implantation ( Read More )
MAY 16, 2025 Journal Article Magnetic Contributions to Corundum-Eskolaite and Corundum-Hematite Phase Equilibria: a DFT Cluster Expansion Study ( Read More )
MAY 16, 2025 Journal Article Water Flipping and the Oxygen Evolution Reaction on Fe2O3 Nanolayers ( Read More )