Thermodynamically Limited Cu-Zn Order in Cu2ZnSnS4 from Monte Carlo Simulations

Achilles' heel of Iron-Based Catalysts During Oxygen Reduction in Acidic Medium

Is Lewis Acidity in Metal Dications Triggered by Solvent Shell Fluctuations?

Two Faces of Hydrogen in Yttrium Hydroxyhydride: Y2H3O(OH) – a New Inorganic Chiral System with Hydridic and Protonic Hydrogens

The effects of nano-sized carbon fillers on the physico-chemical, mechanical, and biological properties of polyester nanocomposites

Effect of High Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: a Molecular Dynamics Study of PEO-LiTFSI

Maxwell’s Equations versus Newton’s Third Law

Structure and Dynamics of Water Confined in Imogolite Nanotubes

Two Consecutive Magneto-Structural Gas-Solid Transformations with Single-Crystal Retention in Non-Porous Molecular Materials

On the Lack of Beneficial Role of Rh Towards C-C Bond Cleavage During Low Temperature Ethanol Electrooxidation on Pt-Rh Nanoalloys

Efficient Prediction of Structural and Electronic Properties of Hybrid 2D Materials Using DFT and Machine Learning

Quantitative Characterization of Molecular-Stream Separation

Conditioning–Free Electrolytes for Magnesium Batteries Using Sulfone–Ether Mixtures with Increased Thermal Stability

Ring-Opening Hydroarylation of Monosubstituted Cyclopropanes Enabled by Hexafluoroisopropanol

The Metalloid Reductase of Pseudomonas Moravenis Stanleyae Conveys Nanoparticle Mediated Metalloid Tolerance

N-Acylation of Oxazolidinones via Aerobic Oxidative NHC Catalysis

Expanding the Chemical Space of Biocompatible Fluorophores: Nanohoops in Cells

Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment

Probing the Mechanochemistry of Metal-Organic Frameworks with Low-Frequency Vibrational Spectroscopy

X-ray Absorption Spectral Signature of Quantum Nuclei in Liquid Water

Nitroxyl Modified Tobacco Mosaic Virus as a Metal-Free High-Relaxivity MRI and EPR Active Superoxide Sensor

Challenges of the Use of Atomistic Simulations to Predict Solubilities of Drug-like Molecules

Catalytic Reaction Mechanism in Native and Mutant COMT from the Adaptive String Method and Mean Reaction Force Analysis.

Antimicrobial Chitosan-G-poly(AMPS-Co-AA-Co-AM)/Ground Basalt Composite Hydrogel: Synthesis and Characterization

Toward Learned Chemical Perception of Force Field Typing Rules

The Potential of Photoelectrochemical Carbon Sinks

Synthesis and Assembly of Designer Styrenic Diblock Polyelectrolytes

Isomeric Equilibria, Nuclear Quantum Effects, and Vibrational Spectra of M+(H2O)n=1−3 Clusters, with M = Li, Na, K, Rb, and Cs, Through Many-Body Representations

Quantitative Image Analysis of Fractal-like Thin Films of Organic Semiconductors

Large-scale QM/MM free energy simulations of enzyme catalysis reveal the influence of charge transfer

Machine Learning Enabled Capacitance Prediction for Carbon-Based Supercapacitors

Revisiting the Dependence of Cu K-Edge X-Ray Absorption Spectra on Oxidation State and Coordination Environment

Determinants of Substrate Specificity in APOBEC3B

Photocatalytic Hydrogen Evolution from Water Using Heterocyclic Conjugated Microporous Polymers: Porous or Non-Porous?

Imidazolium-Based Ionic Liquids Affect Morphology and Rigidity of Living Cells: an Atomic Force Microscopy Study

Aluminum Dihydride Complexes and their Unexpected Application in Atomic Layer Deposition of Titanium Carbonitride Films

Synthesis of 1,2,5,6- and 1,4,5,8-Anthracenetetrone: Building Blocks for π-Conjugated Small Molecules and Polymers

Challenges of Connecting Chemistry to Pharmacology: Perspectives from Curating the IUPHAR/BPS Guide to PHARMACOLOGY