Effect of substitution on the bonding in He dimer confined within dodecahedrane: A computational study
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DOI: 10.1002/jcc.26403
Abstract: The effect of substitution in the dodecahedrane (C20H20) cage on bonding in the confined He dimer is analyzed. The HeHe distances inside the halogenated dodecahedrane C20X20 (X = FBr) cages are found to be less… read more here.
Keywords: c20x20; he2; dimer; effect ... See more keywords
Confinement Effects of a Noble Gas Dimer Inside a Fullerene Cage: Can It Be Used as an Acceptor in a DSSC?
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DOI: 10.3389/fchem.2020.00621
Abstract: A detailed density functional theory investigation of He2-encapsulated fullerene C36 and C40 has been presented here. When confinement takes place, He-He bond length shortens and a non-covalent type of interaction exists between two He atoms.… read more here.
Keywords: noble gas; he2; c40; acceptor ... See more keywords