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1.
BOROSPHERENE IN THE NANOHOOP: COMPLEXATION AND AROMATICITY OF NEUTRAL AND DIOXIDIZED CYCLOPARAPHENYLENE SUPRAMOLECULES WITH B40 AND C60 FULLERENES.
Chemistry
; : e202402027, 2024 Jun 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-38923129
2.
Charge delocalization and aromaticity of doubly reduced double-walled carbon nanohoops.
Phys Chem Chem Phys
; 25(29): 19481-19491, 2023 Jul 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-37448229
3.
Local and global aromaticity under rotation: analysis of two- and three-dimensional representative carbon nanostructures.
Phys Chem Chem Phys
; 25(20): 14285-14293, 2023 May 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-37183443
4.
Core-electron contributions to the molecular magnetic response.
Phys Chem Chem Phys
; 24(20): 12158-12166, 2022 May 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-35543541
5.
Aromaticity of ortho and meta 8-Cycloparaphenylene and Their Dications: Induced Magnetic Field Analysis with Localized and Delocalized Orbitals in Strained Nanohoops.
Chemphyschem
; 22(8): 741-751, 2021 Apr 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-33620136
6.
Consequences of Curvature on Induced Magnetic Field: The Case of Helicenes.
Chemistry
; 26(1): 326-330, 2020 Jan 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-31680347
7.
Induced magnetic field in sp-hybridized carbon rings: analysis of double aromaticity and antiaromaticity in cyclo[2N]carbon allotropes.
Phys Chem Chem Phys
; 22(17): 9240-9249, 2020 May 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-32307509
8.
On the formation of spherical aromatic endohedral buckminsterfullerene. Evaluation of M@C60 (M = Cr, Mo, W) from relativistic DFT calculations.
Phys Chem Chem Phys
; 22(25): 14268-14275, 2020 Jul 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-32555845
9.
Double aromaticity of the B40 fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure.
Phys Chem Chem Phys
; 21(36): 20232-20238, 2019 Sep 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-31490515
10.
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.
Phys Chem Chem Phys
; 21(11): 6150-6159, 2019 Mar 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-30821311
11.
Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents.
J Comput Chem
; 38(30): 2594-2604, 2017 11 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-28833257
12.
Study of Electron Delocalization in 1,2-, 1,3-, and 1,4-Azaborines Based on the Canonical Molecular Orbital Contributions to the Induced Magnetic Field and Polyelectron Population Analysis.
J Phys Chem A
; 119(39): 10091-100, 2015 Oct 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-26348255
13.
Interpretation of electron delocalization in benzene, cyclobutadiene, and borazine based on visualization of individual molecular orbital contributions to the induced magnetic field.
J Phys Chem A
; 118(6): 1113-22, 2014 Feb 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-24444188
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