Automated reaction path search method predicts accurate stereochemistry of pericyclic reactions using only target molecule structure. Automated reaction path search method predicts accurate ...

Researchers at the Institute for Chemical Reaction Design and Discovery (WPI-ICReDD) have demonstrated the expanded use of a computational method called the artificial-force-induced reaction (AFIR) ...

Arynes are known to serve as highly reactive benzene-based synthons, which have gained numerous successes in preparing functionalized arenes. Due to the superb electrophilic nature of these fleeting ...

Pericyclic reactions, in which electrons move in concert to rearrange a molecule’s structure, are standard tools for synthetic chemists. But examples of such transformations in nature are fairly rare.

Water-soluble macrocycles are useful molecular hosts for drug delivery, stimuli-responsive materials, water purification and many other applications. However, controlling the host-guest chemistry of ...