Inserting, removing or swapping individual atoms from the core of a molecule is a long-standing challenge in chemistry. This ...

Chemists at UCLA are showing that some of organic chemistry’s most famous “rules” aren’t as unbreakable as once thought. By creating bizarre, cage-shaped molecules with warped double bonds—structures ...

Chemical bonds are forces that hold atoms together in molecules through shared electrons. The rules governing bonding and the shapes of molecules are often thought to be absolute. Geometries of double ...

An unconventional route for modifying pharmaceutically relevant molecules swaps an atom of carbon for one of nitrogen. The resulting derivatives might open up avenues of research in ...

The CP2K open-source package is among the top three most widely used research software suites worldwide for simulating the ...

Rendition of two optical traps tossing around individual atoms, which is the first time such a feat has been accomplished. (Credit: Jaewook Ahn, Korea Advanced Institute of Science and Technology) An ...

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 ...

"Our results show that a 13-atom molecule structurally similar to those in comets already exists in a young, starless ...