Search Results - Charistos, Nickolas D.

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  1. 1
    Induced magnetic field in sp-hybridized carbon rings: analysis of double aromaticity and antiaromaticity in cyclo[2]carbon allotropes

    Induced magnetic field in sp-hybridized carbon rings: analysis of double aromaticity and antiaromaticity in cyclo[2]carbon allotropes by Charistos, Nickolas D, Muñoz-Castro, Alvaro

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  2. 2
    Charge delocalization and aromaticity of doubly reduced double-walled carbon nanohoops

    Charge delocalization and aromaticity of doubly reduced double-walled carbon nanohoops by Lingas, Rafael, Charistos, Nickolas D, Muñoz-Castro, Alvaro

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  3. 3
    Local and global aromaticity under rotation: analysis of two- and three-dimensional representative carbon nanostructures

    Local and global aromaticity under rotation: analysis of two- and three-dimensional representative carbon nanostructures by Lingas, Rafael, Charistos, Nickolas D, Muñoz-Castro, Alvaro

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  4. 4
    Borospherene in the Nanohoop: Complexation and Aromaticity of Neutral and Dioxidized Cycloparaphenylene Supramolecules with B40 and C60 Fullerenes

    Borospherene in the Nanohoop: Complexation and Aromaticity of Neutral and Dioxidized Cycloparaphenylene Supramolecules with B40 and C60 Fullerenes by Lingas, Rafael, Charistos, Nickolas D., Muñoz‐Castro, Alvaro

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  5. 5
    Core-electron contributions to the molecular magnetic response

    Core-electron contributions to the molecular magnetic response by Orozco-Ic, Mesías, Charistos, Nickolas D, Muñoz-Castro, Alvaro, Islas, Rafael, Sundholm, Dage, Merino, Gabriel

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  6. 6
    Double aromaticity of the B40 fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure

    Double aromaticity of the B40 fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure by Charistos, Nickolas D, Muñoz-Castro, Alvaro

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  7. 7
    Double aromaticity of the B 40 fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure

    Double aromaticity of the B 40 fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure by Charistos, Nickolas D, Muñoz-Castro, Alvaro

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  8. 8
    Interpretation of Electron Delocalization in Benzene, Cyclobutadiene, and Borazine Based on Visualization of Individual Molecular Orbital Contributions to the Induced Magnetic Field

    Interpretation of Electron Delocalization in Benzene, Cyclobutadiene, and Borazine Based on Visualization of Individual Molecular Orbital Contributions to the Induced Magnetic Fiel... by Charistos, Nickolas D, Papadopoulos, Anastasios G, Sigalas, Michael P

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  9. 9
    Aromaticity of ortho and meta 8‐Cycloparaphenylene and Their Dications: Induced Magnetic Field Analysis with Localized and Delocalized Orbitals in Strained Nanohoops

    Aromaticity of ortho and meta 8‐Cycloparaphenylene and Their Dications: Induced Magnetic Field Analysis with Localized and Delocalized Orbitals in Strained Nanohoops by Lingas, Rafael, Charistos, Nickolas D., Muñoz‐Castro, Alvaro

    Published in Chemphyschem
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  10. 10
    Polyaromatic Systems Combining Increasing Optical Gaps and Amplified Nonlinear Optical Properties. A Comprehensive Theoretical Study on B3N3 Doped Nanographenes

    Polyaromatic Systems Combining Increasing Optical Gaps and Amplified Nonlinear Optical Properties. A Comprehensive Theoretical Study on B3N3 Doped Nanographenes by Karamanis, Panaghiotis, Charistos, Nickolas D, Sigalas, Michael P, Rérat, Michel

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  11. 11
    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

    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 by Charistos, Nickolas D, Muñoz-Castro, Alvaro, Sigalas, Michael P

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  12. 12
    Consequences of Curvature on Induced Magnetic Field: The Case of Helicenes

    Consequences of Curvature on Induced Magnetic Field: The Case of Helicenes by Orozco‐Ic, Mesías, Barroso, Jorge, Charistos, Nickolas D., Muñoz‐Castro, Alvaro, Merino, Gabriel

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  13. 13
    Aromatic character of Oh‐C24N24. A cavernous nitride fullerene bearing N4‐macrocycle motifs

    Aromatic character of Oh‐C24N24. A cavernous nitride fullerene bearing N4‐macrocycle motifs by Charistos, Nickolas D., Jin, Peng, Muñoz‐Castro, Alvaro

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  14. 14
    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

    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... by Papadopoulos, Anastasios G, Charistos, Nickolas D, Kyriakidou, Katerina, Sigalas, Michael P

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  15. 15
    On the formation of spherical aromatic endohedral buckminsterfullerene. Evaluation of M@C60 (M = Cr, Mo, W) from relativistic DFT calculations

    On the formation of spherical aromatic endohedral buckminsterfullerene. Evaluation of M@C60 (M = Cr, Mo, W) from relativistic DFT calculations by Rodríguez-Kessler, Peter L, Charistos, Nickolas D, King, R Bruce, Muñoz-Castro, Alvaro

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  16. 16
    Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents

    Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents by Charistos, Nickolas D., Papadopoulos, Anastasios G., Nikopoulos, Thomas A., Muñoz‐Castro, Alvaro, Sigalas, Michael P.

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  17. 17
    On the role of heteroatoms in aromatic rings. Insights from 10π main group elements heterorings [(EH)SN] (E = C, P, B, Si, Al and = 0, −2)

    On the role of heteroatoms in aromatic rings. Insights from 10π main group elements heterorings [(EH)SN] (E = C, P, B, Si, Al and = 0, −2) by Papadopoulos, Anastasios G, Charistos, Nickolas D, Muñoz-Castro, Alvaro

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  18. 18
    Double aromaticity of the B fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure

    Double aromaticity of the B fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure by Charistos, Nickolas D, Muñoz-Castro, Alvaro

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  19. 19
    Induced Magnetic Field of Fullerenes: Role of σ- and π- Contributions to Spherical Aromatic, Nonaromatic, and Antiaromatic Character in C 60 q ( q = +10, 0, −6, −12), and Related Alkali-Metal Decorated Building Blocks, Li 12 C 60 and Na 6 C 60

    Induced Magnetic Field of Fullerenes: Role of σ- and π- Contributions to Spherical Aromatic, Nonaromatic, and Antiaromatic Character in C 60 q ( q = +10, 0, −6, −12), and Related A... by Charistos, Nickolas D., Muñoz-Castro, Alvaro

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  20. 20
    Polyaromatic Systems Combining Increasing Optical Gaps and Amplified Nonlinear Optical Properties. A Comprehensive Theoretical Study on B 3 N 3 Doped Nanographenes

    Polyaromatic Systems Combining Increasing Optical Gaps and Amplified Nonlinear Optical Properties. A Comprehensive Theoretical Study on B 3 N 3 Doped Nanographenes by Karamanis, Panaghiotis, Charistos, Nickolas D., Sigalas, Michael P., Rérat, Michel

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