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physics.chem-ph2018
Simultaneous Orientational and Conformational Molecular Dynamics in Solid (1,1,2)-Trichloroethane
Michela Romanini, Efstratia Mitsari, Pragya Tripathi +4
The molecular dynamics in the ambient-pressure solid phase of (1,1,2)-trichloroethane is studied by means of broadband dielectric spectroscopy and molecular dynamics simulations. T…
physics.chem-ph2016
Localization of the valence electron of endohedrally confined hydrogen, lithium and sodium in fullerene cages
Eloisa Cuestas, Pablo Serra
The localization of the valence electron of , and atoms enclosed by three different fullerene molecules is studied. The structure of the fullerene molecules is used to…