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 In Situ Atmospheric Plume Thermometry via Carbon Monoxide Spectral Profile: Laboratory and Field Validation ( 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 Excitation laser energy dependence of the gap-mode TERS spectra of WS2 and MoS2 on silver ( Read More )
SEPTEMBER 3, 2025 Journal Article The XPS of Pyridine: A Combined Theoretical and Experimental Analysis ( Read More )
AUGUST 29, 2025 Journal Article Mediation of Colloidal Encounter Dynamics by Surface Roughness ( Read More )
AUGUST 29, 2025 Journal Article A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing ( Read More )
AUGUST 29, 2025 Journal Article Imaging Domain Walls in van der Waals Ferroelectrics Using Tip-enhanced Second Harmonic Generation ( Read More )
AUGUST 28, 2025 Journal Article On the Stability Constants of Metal-Nitrate Complexes in Aqueous Solutions ( Read More )
AUGUST 28, 2025 Journal Article Influence of Counterion Substitution on the Properties of Imidazolium-Based Ionic Liquid Clusters ( Read More )
AUGUST 27, 2025 Journal Article Structural Evolution of Mixed-Addenda Keggin Polyoxometalate Anions with Atom-by-Atom Substitution ( 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 8, 2025 Journal Article Cyanine-incorporated amorphous polymeric carbon dots for optical reactive oxygen species sensing ( Read More )
AUGUST 7, 2025 Journal Article Tropospheric aerosols over the western North Atlantic Ocean during the winter and summer deployments of ACTIVATE 2020: life cycle, transport, and distribution ( Read More )
AUGUST 2, 2025 Journal Article Methods for Determining the Infrared Complex Refractive Indices n(?) and k(?) from Organic Solid Powders: Comparison of Sucrose Single Crystal and a Pressed Pellet ( Read More )
AUGUST 1, 2025 Journal Article Finite-temperature many-body perturbation theory for anharmonic vibrations: Recursions, algebraic reduction, second-quantized reduction, diagrammatic rules, linked-diagram theorem, finite-temperature self-consistent field, and general-order algorithm ( Read More )
AUGUST 1, 2025 Journal Article From Electronic Structure to Ion Transport: Photoelectron Spectroscopy and Molecular Dynamics Simulations Reveal the Role of Anions in Lithium Battery Electrolytes ( Read More )