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Animations of Resorcin[4]arene Simulations
(2019)A key feature of resorcin[4]arene cavitands is their ability to switch between a close/contracted (Vase) and an open/expanded (Kite) conformation. In the present movies, the Vase-Kite transitions of a quinoxaline- and a dinitrobenzene-based resorcin[4]arene are visualized from simulations using explicit-solvent molecular dynamics (MD) in three solvent environments (vacuum, chloroform and toluene) and at three temperatures (198.15, 243.15 ...Video