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 5, 2025 Journal Article Impact of SO2 on NiFe Nanoparticle Exsolution and Dissolution from LaFe0.9Ni0.1O3 Perovskite Oxides ( Read More )
SEPTEMBER 3, 2025 Journal Article The XPS of Pyridine: A Combined Theoretical and Experimental Analysis ( Read More )
AUGUST 30, 2025 Journal Article Benzo[a]pyrene (BaP) metabolites predominant in human plasma following escalating oral micro-dosing with [14C]-BaP ( Read More )
AUGUST 27, 2025 Journal Article Carbon Dioxide-Negative Composite Materials: an Economically Viable Solution for CO2 Sequestration ( 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 30, 2025 Journal Article Addressing the genetic/ nongenetic duality in cancer with systems biology ( Read More )
JULY 29, 2025 Journal Article Northern peatland microbial communities exhibit resistance to warming and acquire electron acceptors from soil organic matter ( Read More )
JULY 24, 2025 Journal Article First principles study of molecular hydrogen activation by defects in boron nitride ( Read More )
JULY 19, 2025 Journal Article A prognostic risk model for glioma patients by systematic evaluation of genomic variations ( 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 15, 2025 Journal Article Integrated Proteomic and Glycoproteomic Characterization of Human High-Grade Serous Ovarian Carcinoma ( Read More )
MAY 13, 2025 Journal Article GALIC: Hybrid Multi-Qubitwise Pauli Grouping for Quantum Computing Measurement ( Read More )
MAY 13, 2025 Journal Article Integrated Capture and Conversion of CO2 to Methanol in a Post-Combustion Capture Solvent: Heterogenous catalysts for selective C–N bond cleavage ( Read More )
MAY 13, 2025 Journal Article Collision integrals within the Chapman-Enskog theory for a generalized Lennard-Jones potential ( Read More )