OCTOBER 2, 2025 Journal Article Extending Badger’s Rule. I. The Relationship between Energy and Structure in Hydrogen Bonds ( Read More )
OCTOBER 2, 2025 Report Fluor Solvent Evaluation and Testing New Scope: Techno-economic Assessment of EEMPA Solvent for CO2 Separations from Natural Gas Combined Cycle Power Plant ( Read More )
OCTOBER 2, 2025 Journal Article Projector-Based Quantum Embedding Study of Iron Complexes ( Read More )
SEPTEMBER 5, 2025 Journal Article Biological response of eelgrass epifauna, Taylor’s Sea hare (Phyllaplysia taylori) and eelgrass isopod (Idotea resecata), to elevated ocean alkalinity ( 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 Bench-Scale Apparatus for Rapid, Simultaneous, Comprehensive Vapor–Liquid Equilibrium and Kinetic Property Measurements to Advance CO2 Capture Solvent Technology ( Read More )
SEPTEMBER 3, 2025 Journal Article The XPS of Pyridine: A Combined Theoretical and Experimental Analysis ( Read More )
SEPTEMBER 3, 2025 Journal Article Controlled Electrochemical Nutrient Delivery to Enhance Marine Primary Productivity ( Read More )
AUGUST 27, 2025 Journal Article Carbon Dioxide-Negative Composite Materials: an Economically Viable Solution for CO2 Sequestration ( Read More )
AUGUST 21, 2025 Journal Article Electrocatalysis in CO2-Binding Organic Liquids with an Iron Porphyrin ( 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 )
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 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 13, 2025 Journal Article GALIC: Hybrid Multi-Qubitwise Pauli Grouping for Quantum Computing Measurement ( Read More )
MAY 13, 2025 Journal Article Collision integrals within the Chapman-Enskog theory for a generalized Lennard-Jones potential ( Read More )
MAY 9, 2025 Journal Article Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering ( Read More )
MAY 6, 2025 Journal Article Effective Many-body Interactions in Reduced-Dimensionality Spaces Through Neural Network Models ( Read More )