Intermolecular interaction network in liquid acetone

Molecular dynamics simulations, employing the transferable potentials for phase equilibria-united atom force field, have been performed to explore the structural features of liquid acetone. Topological and dynamical network analyses have been performed on the intermolecular interaction (IMI) networks, which are constructed based on a set of pair energy cutoffs. Topological analysis revealed that the acetone pairs interacting stronger than −10...