A breakthrough deterministic physics kernel delivers molecular, materials, and reaction screening across three ...

Researchers use AI to visualize reaction pathways of colloidal quantum dots as subway maps, clarifying synthesis and speeding sensor design. This innovative achievement allows AI to analyze complex ...

When molecules fall apart, their electric charge doesn't stay put—it rearranges as bonds stretch and break. An international team of scientists has now tracked these ultrafast changes in the small ...

(Nanowerk News) Chemical reactions are supposed to occur along their minimum energy paths. In recent years, so-called roaming reactions that stray far from this path have begun to be observed, but ...

The Horner–Wadsworth–Emmons (HWE) reaction is a fundamental reaction in organic chemistry, widely used to create conjugated carbonyl compounds. Conjugated carbonyl compounds are used in many ...

Scientists have observed so-called 'roaming' chemical reactions, those that at certain points move away from the lowest minimum energy 'path of least resistance', in highly excited energy states for ...