COLUMBUS, Ohio — Chemists have calculated the structure of a very unusual molecule, one whose hyperactive atoms have earned it the nickname “the scrambler.” This highly caustic “protonated methane,” ...

A new quantum computing protocol may be able to augment a standard technique for understanding molecules in chemistry, biomedicine and materials science ...

Colloidal stability is calculated by balancing repulsive and attractive intermolecular interactions among protein molecules to sustain the native folded state. Less intermolecular interaction reduces ...

and molecular dynamics simulations to determine the structure of water in the hydration of different types of chitin nanocrystals, and how this affects their mechanicalproperties, reactivities, and ...