More efficient and sustainable energy conversion technologies, among other applications, hinge on lowering the amount of ...

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 ...

During chemical reactions, atoms in the reacting substances break their bonds and re-arrange, forming different chemical ...

Hydrogen cyanide, a toxic chemical, may have helped spark the chemistry that led to life. When frozen, it forms crystals with ...

“We may never know precisely how life began, but understanding how some of its ingredients take shape is within reach.

Chromone derivatives represent a versatile class of compounds whose unique reactivity underpins the development of complex heterocyclic architectures with significant biological, photophysical and ...

Cells spend energy not just on reactions, but on control. New research explains why staying stable comes with an unseen ...

Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new ...

Density Functional Theory (DFT) has emerged as a cornerstone in modern computational chemistry, offering a robust framework to predict and elucidate molecular structures and reaction mechanisms. By ...

A ring of beads connected to tentacles A modeling study shows how chemical reactions can stimulate motion in simple systems, like the structure here—made of enzyme coated beads connected to ...

Penn State researchers have uncovered a surprising twist in a foundational chemical reaction known as oxidative addition. Typically believed to involve transition metals donating electrons to organic ...