APRIL 23, 2026 Journal Article Role of Surface Hydroxyls and Lattice Oxygen in Governing Selectivity and Restructuring during Acetic Acid Conversion on Fe3O4(001) ( Read More )
APRIL 23, 2026 Journal Article Energy-Conserving Contact Dynamics of Nonspherical Rigid-Body Particles ( Read More )
APRIL 22, 2026 Journal Article Birth of the Hydrated Electron via Charge-Transfer-to-Solvent Excitation of Aqueous Iodide ( Read More )
APRIL 22, 2026 Journal Article STEPs-SOL a Peptoid Force Field Parameterization to Include Solvent Effects ( Read More )
APRIL 17, 2026 Journal Article The role of collective solvent coordinates and nonequilibrium solvation in charge-transfer reactions ( Read More )
APRIL 15, 2026 Journal Article Boosting Hydrogenation of CO2 Using Cationic Cu Atomically Dispersed on 2D ?-Al2O3 Nanosheets ( Read More )
APRIL 15, 2026 Journal Article Thiol post-translational modifications modulate allosteric regulation of the OpcA-G6PDH complex through conformational gate control ( Read More )
APRIL 15, 2026 Journal Article Rapid Screening of Single Atom Catalyst Synthesis Conditions Using ToF-SIMS and Facet-Dependent Single-Crystal Substrates ( Read More )
APRIL 15, 2026 Journal Article Water effects on NH3-SCR over Cu-based small-pore zeolite catalysts: A review ( Read More )
APRIL 15, 2026 Journal Article Intrinsically Bifunctional and Tunable Tungsten Carbide Catalysts Enable Efficient PVC-Compatible Polyolefin Hydrocracking ( Read More )
APRIL 11, 2026 Journal Article Mesocrystal Growth by Oriented Sliding and Attachment of Nanoplates ( Read More )
MARCH 5, 2026 Journal Article Protonation Dynamics of Confined Ethanol–Water Mixtures in H-ZSM-5 from Machine Learning-Driven Metadynamics ( Read More )
MARCH 4, 2026 Journal Article Carboxylic Acid Induced Restructuring of the Fe3O4(001) Surface ( Read More )
FEBRUARY 5, 2026 Journal Article Quantum electrodynamics coupled-cluster at scale: High-performance implementation for complex systems ( Read More )
FEBRUARY 2, 2026 Journal Article Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory ( Read More )
FEBRUARY 2, 2026 Journal Article Preface to “Complexity at Catalytically Relevant Interfaces, Irsee X Symposium sponsored by the Robert Karl Grasselli Foundation, Kloster Irsee, Germany, 6–9 June 2024” ( Read More )
FEBRUARY 2, 2026 Journal Article Modeling the Behavior of Concentrated Aqueous HNO3 Using Machine Learning Interatomic Potentials ( Read More )
JANUARY 21, 2026 Journal Article Ru-catalyzed polyethylene hydrogenolysis under quasi-supercritical conditions ( Read More )
JANUARY 20, 2026 Journal Article Reorganization of Water at Aqueous Aluminum Chloride (AlCl3) Interfaces: Vibrational Sum Frequency Generation and Molecular Dynamics Simulations ( Read More )
JANUARY 9, 2026 Journal Article Mechanistic Insights into Adsorptive and Catalytic Reactions from Controllable Distributions of Metal Cations (Pd, Pt, Ni, Cr, Cu) as [M-OH]+1/1Al or M+2/2Al in Zeolites ( Read More )