Non-Covalent Functionalisation of C Fullerene by Pyrrole-n-Carboxylic Acid (n=2, 3): Density Functional Theory Studies.

For functionalisation of a representative C fullerene nanostructure by pyrrole-n-carboxylic acid (PnCA; n =2, 3) their stabilities and properties were investigated based on density functional theory calculations. Parallel calculations were also done for C fullerene as evidence for comparing the resu...

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Publicado en:	Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 73; no. 1; pp. 51 - 57
Autores principales:	Harismah, Kun, Mirzaei, Mahmoud, Ghasemi, Nahid, Nejati, Mohammad
Formato:	Artículo
Publicado:	De Gruyter Jan2018
Materias:	Fullerenes Carboxylic acids Density functional theory Quadrupoles Charge transfer
Acceso en línea:	Ver este registro en EBSCOhost