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 ...

A quantum chemistry research team led by Dr Jun YANG from the Department of Chemistry at the University of Hong Kong (HKU) has developed an extensive and widely applicable computational technique ...

The Schrödinger equation rewrote the rules of matter and forever changed the field of chemistry. Donald Truhlar, a chemist at ...

Scientists have developed a new platform for single-atom catalysis. The system isolates metal atoms on carefully designed polymer chains. It aims to boost efficiency and selectivity in chemical ...