A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

A multi-omics analysis provides the framework for gaining insights into the structure and function of microbial communities across multiple habitats on a planetary scale

Data-driven autonomous technology to rapidly design and deliver antiviral interventions targeting SARS-CoV-2 to reduce drug discovery timeline and advance bio preparedness capabilities.

Advanced proteomic analysis tools dig deep into human blood plasma to understand the molecular nature of advanced alcoholic disease.

Silicone wristbands could be more convenient option for collecting exposure data.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

The size of the alkali metal within the material influences the crystallization pathway.

Structural changes in heavy water occur at different temperatures than in standard water.

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

A comprehensive understanding of the electronic structure of uranyl ions provides insight into the chemistry of nuclear waste and uranium separation technologies.

Researchers achieved the complete assignment of the infrared spectrum of a hydronium-water “magic number” cluster reported in Science in 2004.

New study elucidates the complex relaxation kinetics of supercooled water using a pulsed laser heating technique at previously inaccessible temperatures.

Spectroscopic experiments reveal significant variations in the electronic structures of actinide tetrafluorides despite their nearly identical crystal structures.

A new article reviews bio-orthogonal click chemistry reagents that can be used as probes to label metabolic pathways in plants and microbes.

A new study connects microscopic molecular-level descriptions with properties of a liquid at the macroscopic scale.

Combining transition state theory with Marcus theory provides insight into the fundamental processes of proton transfer in water.