Liquids and solutions are complex environments—think, for example, of sugar dissolving in water, where each sugar molecule ...

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 ...

As the science of drug discovery has grown in scale and gotten more complicated, so have the drug molecules themselves. But there’s a promising class of drugs made of just a handful of atoms that ...

Earlier theories had forecast an appreciable drop in the reaction probability at low temperatures, but we could not confirm this either in the experiment or in new calculations by our colleagues on ...