ListarInvestigación y Desarrollo por tema "aromaticity"
Mostrando ítems 1-12 de 12
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Aromatic character of O h -C 24 N 24 . A cavernous nitride fullerene bearing N 4 -macrocycle motifs (2020)
(John Wiley and Sons Inc., 2019) -
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B3Al4+: A Three-Dimensional Molecular Reuleaux Triangle (2024)
(MDPI, 2022)We systematically explore the potential energy surface of the B3Al4+ combination of atoms. The putative global minimum corresponds to a structure formed by an Al4 square facing a B3 triangle. Interestingly, the dynamical ... -
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Consequences of Curvature on Induced Magnetic Field: The Case of Helicenes (2020)
(Wiley-VCH Verlag, 2020) -
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On the Aromaticity and13 C-NMR Pattern of Pentagonal-Pyramidal Hexamethylbenzene Dication [C6 (CH3 )6 ]2+: A {C5 (CH3 )5 }− –{CCH3 }3+ Aggregate (2022)
(MDPI, 2021-12)The experimentally characterized hexamethylbenzene dication C6 (CH3 )62+ shows a pentagonal-pyramidal structure involving a carbon-capped five-membered ring. The structural characterization of this hypercoordination (or ... -
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Planar Elongated B12 Structure in M3B12 Clusters (M = Cu-Au) (2024)
(MDPI, 2023)Here, it is shown that the M3B12 (M = Cu-Au) clusters’ global minima consist of an elongated planar B12 fragment connected by an in-plane linear M3 fragment. This result is striking since this B12 planar structure is not ... -
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Revisiting (anti)aromaticity and chemical bond in planar BXNX clusters (x = 2-11) (2020)
(John Wiley and Sons Inc., 2020) -
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Revisiting Aromaticity and Chemical Bonding of Fluorinated Benzene Derivatives (2020)
(Wiley-VCH Verlag, 2015) -
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Spin–orbit effects on magnetically induced current densities in the M5− (M=N,P,As,Sb,Bi,Mc) clusters (2020)
(John Wiley and Sons Inc., 2018)