Listar Investigación y Desarrollo por autor "Charistos N.D."
Mostrando ítems 1-11 de 11
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Article
Aromatic character of O h -C 24 N 24 . A cavernous nitride fullerene bearing N 4 -macrocycle motifs (2020)
Charistos N.D.; Jin P.; Muñoz-Castro A. (John Wiley and Sons Inc., 2019) -
Article
Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents (2020)
Charistos N.D.; Papadopoulos A.G.; Nikopoulos T.A.; Muñoz-Castro A.; Sigalas M.P. (John Wiley and Sons Inc., 2017) -
Article
Consequences of Curvature on Induced Magnetic Field: The Case of Helicenes (2020)
Orozco-Ic M.; Barroso J.; Charistos N.D.; Muñoz-Castro A.; Merino G. (Wiley-VCH Verlag, 2020) -
Article
Double aromaticity of the B40 fullerene: Induced magnetic field analysis of π and σ delocalization in the boron cavernous structure (2020)
Charistos N.D.; Muñoz-Castro A. (Royal Society of Chemistry, 2019) -
Article
Induced magnetic field in sp-hybridized carbon rings: Analysis of double aromaticity and antiaromaticity in cyclo[2: N] carbon allotropes (2020)
Charistos N.D.; Muñoz-Castro A. (Royal Society of Chemistry, 2020) -
Article
Induced Magnetic Field of Fullerenes: Role of σ- And π- Contributions to Spherical Aromatic, Nonaromatic, and Antiaromatic Character in C60q (q = +10, 0, -6, -12), and Related Alkali-Metal Decorated Building Blocks, Li12C60 and Na6C60 (2020)
Charistos N.D.; Muñoz-Castro A. (American Chemical Society, 2018) -
Article
Magnetic Response of Aromatic Rings Under Rotation: Aromatic Shielding Cone of Benzene Upon Different Orientations of the Magnetic Field (2020)
Papadopoulos A.G.; Charistos N.D.; Muñoz-Castro A. (Wiley-VCH Verlag, 2017) -
Article
On the cation–π capabilities of small all sp2-carbon host structures. Evaluation of [6.8]3cyclacene from relativistic DFT calculations (2020)
Ortolan A.O.; Charistos N.D.; Guajardo-Maturana R.; Ulloa C.O.; Caramori G.F.; Parreira R.L.T.; Muñoz-Castro A. (John Wiley and Sons Inc., 2019) -
Article
On the formation of spherical aromatic endohedral buckminsterfullerene. Evaluation of M@C60(M = Cr, Mo, W) from relativistic DFT calculations (2020)
Rodríguez-Kessler P.L.; Charistos N.D.; King R.B.; Muñoz-Castro A. (Royal Society of Chemistry, 2020) -
Article
On the role of heteroatoms in aromatic rings. Insights from 10π main group elements heterorings [(EH)2S2N4]Q (E = C, P, B, Si, Al and q = 0, -2) (2020)
Papadopoulos A.G.; Charistos N.D.; Muñoz-Castro A. (Royal Society of Chemistry, 2016) -
Article
The pseudo-π model of the induced magnetic field: Fast and accurate visualization of shielding and deshielding cones in planar conjugated hydrocarbons and spherical fullerenes (2020)
Charistos N.D.; Muñoz-Castro A.; Sigalas M.P. (Royal Society of Chemistry, 2019)