General chemistry
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- Solid-Phase Standard Enthalpies of Formation from SMILES with a Calibrated Per-Molecule Uncertainty: Application to a 13 606-Compound CHONFCl Inventory
- Accelerated Hygrothermal Aging of an Epoxy Barrier Coating: Correlating Laboratory Degradation with Performance
- Transport and mechanical properties of pseudo-zwitterionic polymer electrolytes from non-equilibrium molecular dynamics simulations
- Manufacturing process modeling of bilayer cathode for graded thick electrode design
- Design of High-Ionic-Conductivity Doped Li2ZrO3 Cathode Coating with Machine Learning Interatomic Potentials
- Analytic Energy Gradients for Unrestricted Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory
- Q-Chem/CP2K software interface for projection-based, pseudoperiodic wavefunction-in-DFT embedding
- Direct Ink Writing (DIW) of Mechanically Graded and Programmable Crosslinked Polymers with Seamless Interlayer Fusion
- Acylals Derived from Acrylic Anhydride as Latent Anhydride Crosslinkers for Catalyst-Free Vitrimers
- Data-driven models for performance prediction in a microalgae-based wastewater treatment process
- Room-temperature relithiation of chemically delithiated LMFP cathode materials as a model for direct recycling
- Controlling Spin Filtering through Molecular Length in Helical Aromatic Oligomers
- Polymer-solvent cluster coupling drives permeation pathways through PIM-1 membrane
- Gold-labelled nanoplastics models: Synthesis, detection, and quantification by SP-ICP-MS in Daphnia magna
- Predicting Local Lithium-Plating Onset with Upscaled Models
- A dynamic electrochemical impedance spectroscopy extraction method for PEM water electrolyzers considering time resolution
- In-situ Electrochemical Spectroscopic Ellipsometry Characterization of Polymer and MXene Films
- Not comparing like with like: a measurement-conditions audit of the solid polymer electrolyte literature
- Spatially resolved 3D aging model linking interdependent degradation mechanisms to knee and end-of-life prediction
- Evaluation of log D and pKa predictions for the SAMPL8 blind challenge
- Fracture mechanics favors lower-than-expected stack pressures in halide solidstate batteries
- Computational Fluid Dynamics-Informed Machine Learning-Enabled Digital Twin for Vapor Maldistribution Prediction in Structured Packed Distillation Columns
- Group-Invariant Certificates and Solvers for Diversity Selection in Combinatorial Libraries
- Report – 4th Ontologies4Chem Workshop
- A conformational filter protocol for structures with topological symmetry