Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Transition metal chemistry is a vast and dynamic field that centres on the distinctive properties of elements in groups 3–12. These metals, characterised by partially filled d orbitals, exhibit a ...