Chemists have discovered that an ‘impossible’ reaction at cold temperatures actually occurs with vigour, which could change our understanding of how alcohols are formed and destroyed in space. To ...

When synthesizing new compounds, it is advantageous to have reactants that are widely available and a simple method which produces a high yield of products with little waste (undesirable byproducts).

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 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 ...