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 ...

On Wednesday, the Nobel Committee announced that it had awarded the Nobel Prize in chemistry to researchers who pioneered major breakthroughs in computational chemistry. These include two researchers ...

“Reactive Noble-Gas Compounds Explored by 3D Electron Diffraction: XeF 2 −MnF 4 Adducts and a Facile Sample Handling Procedure” Since Bartlett’s discovery, which is commemorated with an International ...

Quantum entanglement offers a unified ab initio framework for revealing chemical bonds, from Lewis structures to aromatic and ...

Researchers have developed a platform that uses artificial neural networks to translate chemical structural formulae into machine-readable form. With this platform, they have created a tool with which ...

Once the cornerstone of industrial wealth, wool has struggled against synthetic fibres for decades. Now, its versatile ...

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 ...

Members of the Nobel Committee for Chemistry hold a model of a metal-organic framework during the 2025 prize announcement in Stockholm on October 8. Jonathan Nackstrand / AFP via Getty Images Three ...

The universe is flooded with billions of chemicals, each a tiny pinprick of potential. And we’ve only identified 1% of them. Scientists believe undiscovered chemical compounds could help remove ...