DECEMBER 17, 2025 Journal Article A meta-generalized gradient approximation for the cavity-dependent exchange-correlation interaction in strongly coupled light-matter systems ( Read More )
DECEMBER 13, 2025 Report Tritium Trapping Thermodynamics by Point Defects at Interfacial Fe-Al Phases of the Aluminide Coating ( Read More )
DECEMBER 6, 2025 Journal Article The Properties That Allow Tuning the Reduction Potentials over a Volt Range in Biological Iron/Sulfur Clusters ( Read More )
DECEMBER 6, 2025 Report ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows ( Read More )
NOVEMBER 26, 2025 Journal Article Facet-dependent heterogeneous Fenton reaction mechanisms on hematite nanoparticles for (photo)catalytic degradation of organic dyes ( Read More )
NOVEMBER 25, 2025 Journal Article Integrated low-temperature PVC and polyolefin upgrading ( Read More )
NOVEMBER 18, 2025 Journal Article Toward a Unified Kinetic Model of Nitrogenase Catalysis ( Read More )
NOVEMBER 18, 2025 Journal Article Active site evolution during formic acid conversion on Rh-substituted Fe3O4(001) ( Read More )
NOVEMBER 12, 2025 Journal Article Unravelling the dynamics of the maturation protein in MS2 bacteriophage via molecular simulations ( Read More )
OCTOBER 21, 2025 Journal Article Advances and Challenges in Low-Temperature Upcycling of Waste Polyolefins via Tandem Catalysis ( Read More )
OCTOBER 16, 2025 Report Autonomous Flow Electrochemistry for Accelerated Catalyst Discovery ( Read More )
OCTOBER 11, 2025 Report Vibrational Signatures of S Vacancies in monolayer tungsten disulfide ( Read More )
OCTOBER 4, 2025 Journal Article Activation, Dehydrogenation, and Carbon–Carbon Coupling of Methane by Iridium Cations Studied by Infrared Multiple Photon Dissociation Spectroscopy and Density Functional Theory ( Read More )
OCTOBER 2, 2025 Journal Article Porous transport electrodes for oxygen evolution reaction in proton exchange membrane water electrolysis -cells: Materials, designs, and diagnoses ( Read More )
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 18, 2025 Journal Article Unraveling Adsorbate-Induced Structural Evolution of Iron Carbide Nanoparticles ( 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 4, 2025 Journal Article Joint Appointee: Quantifying how the cis/trans ratio of N,N-dimethyl-3,5- dimethylpiperidinium hydroxide impacts the growth kinetics, composition and local structure of SSZ-39 ( Read More )