In this video excerpt from NOVA's "Hunting the Elements," New York Times technology columnist David Pogue examines how atomic structure determines reactivity. Meet Theo Gray, chemist and author, who ...

A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...

For the first time, scientists visualized how electrons behave during a chemical reaction, which could help reduce unwanted ...

The chemical reactions of hydrogen combustion occur because certain atoms and molecules are very reactive—they are unstable on their own and quickly combine with other molecules or atoms. Adding the ...

Combining experimental investigations and theoretical simulations, researchers have explained why platinum nanoclusters of a specific size range facilitate the hydrogenation reaction used to produce ...

Guided by quantum chemical calculations, scientists design and test a new single atom catalyst that converts propane to propylene with 100% efficiency, with little deactivation by coking. If adopted ...

Anchoring single metal atoms on ultrathin supports improves catalyst efficiency and stability, making hydrogen production ...