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

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.

Ocean biogeochemical modeling software now available as open source to help researchers predict impacts of pollution, sea level rise, and climate change.

Integrating hydrogeology and biogeochemistry are required to model the dynamics of geochemical processes occurring in river corridor zones where groundwater and surface water mix.

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 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.

Geophysical modeling and inversion software meets DOE and nuclear industry standards for use in decision-making for radiologically contaminated sites.

Pacific Northwest marsh carbon stocks are twice the global average. Long-term sea-level rise impacts will likely decrease ecosystem carbon stocks.

Existing techniques to detect pertechnetate in the environment have drawbacks. PNNL’s redox sensor technology uses a gold probe to accurately and efficiently measure low levels of pertechnetate—and possibly other contaminants—in groundwater