ListarInvestigación y Desarrollo por tema "Fullerene"
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Article
Evaluation of C60 and C70 analogs bearing Cyclo‐meta‐Phenylene faces as improved devices for Polymer:Fullerene solar cells from DFT calculations (2020)
(Elsevier Ltd, 2021-01-30)A new structure for spherical fullerene is evaluated involving sixty phenylene rings, replacing every C-vertex from C60, which is based on the isolated-pentagon-rule (IPR) motif based on a cyclo‐meta‐phenylene derivatives ... -
Article
On the 13C-NMR chemical shift anisotropy patterns and aromatic character in strained fullerenes: Computational analysis of D6h/D2d-C36 fullerene (2020)
(John Wiley and Sons Inc., 2020-09-05)The NMR characterization of small C36 hollow fullerene exposes a stable cage with structural features based on its strained curved π-surface in a D6h-symmetry. Our results indicate that planar-like aromatic properties of ...