SEPTEMBER 22, 2026 Journal Article Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism ( Read More )
SEPTEMBER 22, 2026 Journal Article Molecular modelling of surfactant interaction on phospholipid bilayers mimicking corneal epithelium ( Read More )
SEPTEMBER 22, 2026 Journal Article Fingerprinting Uranium Oxides with Electron Energy Loss Spectroscopy Supported by Theoretical Computations ( Read More )
SEPTEMBER 22, 2026 Journal Article MixPI: Mixed-Time Slicing Path Integral Software for Quantized Molecular Dynamics Simulations ( Read More )
SEPTEMBER 22, 2026 Journal Article Fermionic mean-field dynamics for spin systems beyond free fermions ( Read More )
SEPTEMBER 22, 2026 Journal Article A Cautionary Tale: Failure of the Valence CASSCF to Describe the Hallmark of Hydrogen Bonding ( Read More )
SEPTEMBER 22, 2026 Report Thermodynamics of Tritium Trapping by Point Defects at Interfacial Cr-based Phases of the Al Coating ( Read More )
JUNE 4, 2026 Journal Article Direction-specific enhanced diffusion of CO2 in chiral hexagonal boron nitride nanotubes ( Read More )
MAY 9, 2026 Journal Article Ab Initio Structures and Energetics of Hydrated Flat and Terrace-Step Surfaces of Forsterite (Mg2SiO4) ( Read More )
APRIL 23, 2026 Journal Article Energy-Conserving Contact Dynamics of Nonspherical Rigid-Body Particles ( Read More )
APRIL 22, 2026 Journal Article STEPs-SOL a Peptoid Force Field Parameterization to Include Solvent Effects ( Read More )
APRIL 16, 2026 Journal Article Mechanistic Insights into Molecular Copper Hydride Catalysis: the Kinetic Stability of CuH Monomers toward Aggregation is a Critical Parameter for Catalyst Performance ( 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 11, 2026 Journal Article Mesocrystal Growth by Oriented Sliding and Attachment of Nanoplates ( Read More )
APRIL 8, 2026 Journal Article Ab Initio Thermodynamics of Ni and Co Incorporation in Mg Hydroxide, Carbonate, and Hydroxycarbonate Minerals ( Read More )
MARCH 21, 2026 Journal Article A Fractional Calculus Framework for Open Quantum Dynamics: From Liouville to Lindblad to Memory Kernels ( Read More )
MARCH 4, 2026 Report Model Parameter Development for Complex Materials : Species-Specific Diffusion Barriers in 316 Stainless Steel from Systematic DFT Calculations ( Read More )
FEBRUARY 20, 2026 Report Summary Report from the 2025 Interfaces for Energy and the Environment Conference ( Read More )
FEBRUARY 17, 2026 Journal Article Competition between Hydrogen and Chalcogen Bonding in Homodimers of Chalcogen Hydrides (H2X)2, X = O, S, Se, Te ( Read More )