Speeding up chemical reactions is key to improving industrial processes or mitigating unwanted or harmful waste. Realizing these improvements requires that chemists design around documented reaction ...

Transition metal carbides (TMCs) occupy a unique position in heterogeneous catalysis, combining metallic conductivity with covalent character to enable efficient activation of small molecules. Their d ...

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 ...

A vial in a laboratory being illuminated by a blue-light lamp. Chemists at the University of California, Los Angeles, found that phosphine can exhibit metal-like behavior in photocatalytic reactions ...

An illustration of a person in a lab coat looking at a picket fence. The field is various elements, metals specifically. Credit: Chris Gash On a summer day about 20 years ago, Paul Chirik returned to ...

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 ...

In an effort to open the door to new and useful products, chemistry researchers are on the continual lookout for processes ...

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 ...

MIT chemists have developed a computational model that can rapidly predict the structure of the transition state of a reaction (left structure), if it is given the structure of a reactant (middle) and ...