Latest Articles for Chemistry

This article examines how different solvents influence molecule behavior and shape changes.

Combining classical and quantum approaches could enhance simulations of complex systems.

Exploring the potential and challenges of vibrational polariton states in molecular systems.

Discovering how phosphorus compounds form and evolve in the universe.

A new method enhances drug candidate evaluation by leveraging 3D molecular structures.

This article explores the Anderson-Holstein model and stochastic Schrödinger equations in quantum systems.

Examining how cabling operations influence knot complexity and crossing numbers.

Innovative approaches enhance understanding of molecular structures and their properties.

T-Rex combines language and graph models to enhance retrosynthesis predictions in chemistry.

Language models enhance efficiency in discovering new molecules for drug development.

Quantum methods combined with classical approaches enhance calculations of Green's functions.

A study on computational methods for analyzing conical intersections in excited states.

Research on liquid behavior in small spaces impacts resource extraction and technology.

New insights into electron behavior promise better technology and medical applications.

This study examines how evaporation affects foam cooling and stability.

Researchers develop a new framework to predict molecular conformations more accurately.

Researchers investigate how temperature influences structure in layered LiV materials.

Examining fluid movement driven by temperature differences in near-critical binary mixtures.

Study reveals interaction between active and passive particles in rafts.

Exploring the role of oriented hypergraphs in modeling complex chemical interactions.

Explore how partial charges impact molecules and chemical bonds.

Study of how solvents influence molecular stability and interaction energy.

A machine learning model improves predictions of complex molecular properties based on SMILES code.

A study on how fruit smells change during ripeness and fermentation.

Ptychography enhances atomic-level imaging, revealing detailed movements of atoms.

Explore how interactions in reaction networks change over time.

A novel approach improves understanding of molecular shapes and their effects on properties.

Research combines simulations and machine learning to predict redox potentials in metals.

New methods improve understanding of chemical reactions near metal surfaces.

Exploring how surface energy impacts nucleation and the formation of polycrystalline materials.

Researchers investigate how colloids move and interact under light exposure.

New models improve how we handle point clouds data.

A method to improve language models for complex scientific applications.

Exploring how boiling differs in tiny nanopores and its implications.

Study reveals complex behavior of chiral structures in confined liquid crystals.

A look at QM7b and QM9 datasets for molecular property prediction.

Triplet Graph Transformer enhances prediction of molecular properties through direct atom communication.

Researchers develop stochastic methods to study quasiparticles efficiently in complex materials.

Explore the fascinating world of cyclic polyelectrolytes and their unique behaviors.

Examining how jump processes affect the occurrence of rare events.