Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...

Penn State researchers have uncovered a surprising twist in a foundational chemical reaction known as oxidative addition. Typically believed to involve transition metals donating electrons to organic ...

Chemists know that getting conditions right for an individual chemical reaction can be a persnickety process. So figuring out general reaction conditions that work for many different substrates is ...

After years of research, international experts have confirmed the discovery of a new chemical reaction, launching new ...