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 ...

Scientists have made an advancement in the field of electrocatalysis. Their latest research sheds light on how catalysts can stay in unanticipated forms during the process of nitrate reduction. The ...

New play in transition metal chemistry playbook revealed. New research shows that net oxidative addition can occur via a different order of events in which the transitiion metal complex accepts ...

Immobilizing small synthetic molecules inside protein crystals proves to be a promising avenue for studying intermediate compounds formed during chemical reactions, scientists report. By integrating ...

Researchers from Imperial and its spinout company SOLVE Chemistry have presented a chemical dataset at the prestigious AI conference NeurIPS that could help accelerate the use of machine learning to ...