Solvation theory investigates the energetic and structural effects when solutes interact with surrounding solvent molecules, providing a fundamental framework to understand processes as diverse as ...

Cycloaddition reactions represent a cornerstone of synthetic organic chemistry, facilitating the formation of cyclic structures through concerted pericyclic processes. Traditionally explained via ...

Scientists use quantum many-body data and machine learning to boost density functional theory accuracy for chemistry and materials science. (Nanowerk News) A new trick for modeling molecules with ...

A new quantum transport theory reveals how femtosecond time scale thermoelectric fluctuations influence energy control at the ...