In the production of chemical compounds, the success of each individual reaction depends on numerous parameters. It is not always possible, even for experienced chemists, to predict whether a reaction ...

A team of researchers have developed state-of-the-art software to predict reaction yields while varying up to four components. Their software can work for any reaction on any substrate, using Spartan ...

During a chemical reaction, molecules gain energy until they reach what’s known as the transition state — a point of no return from which the reaction must proceed. This state is so fleeting that it’s ...

The Schrödinger equation rewrote the rules of matter and forever changed the field of chemistry. Donald Truhlar, a chemist at the University of Minnesota, calls it the “greatest advance of the 20th ...

Everyday life without artificial intelligence is barely conceivable in today's world. Countless applications in areas such as autonomous driving, foreign language translations or medical diagnostics ...

To manufacture medicines, chemists must find the right combinations of chemicals to make the necessary chemical structures. This is more complicated than it sounds, as typical chemical reactions ...