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

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (17), p.924-9249

2020

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

Chemistry : a European journal, 2024-08, p.e202402027

2024

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

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.19481-19491

2023

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

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (2), p.14285-14293

2023

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

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (36), p.20232-20238

2019

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Core-electron contributions to the molecular magnetic response

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (2), p.12158-12166

2022

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

Physical chemistry chemical physics : PCCP, 2019-09, Vol.21 (36), p.20232-20238

2019

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

Journal of physical chemistry. C, 2019-08, Vol.123 (34), p.21135-21149

2019

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-02, Vol.118 (6), p.1113-1122

2014

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

Chemphyschem, 2021-04, Vol.22 (8), p.741-751

2021

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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

Physical chemistry chemical physics : PCCP, 2019-03, Vol.21 (11), p.6150-6159

2019

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

Chemistry : a European journal, 2020-01, Vol.26 (1), p.326-330

2020

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Magnetic Response of Aromatic Rings Under Rotation: Aromatic Shielding Cone of Benzene Upon Different Orientations of the Magnetic Field

Chemphyschem, 2017-06, Vol.18 (12), p.1499-1502

2017

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

International journal of quantum chemistry, 2019-07, Vol.119 (13), p.n/a

2019

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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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-10, Vol.119 (39), p.10091-10100

2015

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

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (25), p.14268-14275

2020

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

Journal of computational chemistry, 2017-11, Vol.38 (30), p.2594-2604

2017

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Thorium and uranium uptake by natural zeolitic materials

The Science of the total environment, 1995-12, Vol.173, p.237-246

1995

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GIS-type zeolite synthesis from Greek lignite sulphocalcic fly ashes promoted by NaOH solutions

Microporous and mesoporous materials, 2003-07, Vol.61 (1), p.57-67

2003

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On the cation–π capabilities of small all sp2‐carbon host structures. Evaluation of [6.8]3cyclacene from relativistic DFT calculations

International journal of quantum chemistry, 2019-02, Vol.119 (4), p.n/a

2019

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

Physical chemistry chemical physics : PCCP, 2019-09, Vol.21 (36), p.2232-2238

2019

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EPI-type zeolite synthesis from Greek sulphocalcic fly ashes promoted by H2O2 solutions

Fuel (Guildford), 2006-02, Vol.85 (3), p.360-366

2006

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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

Journal of physical chemistry. C, 2018-05, Vol.122 (17), p.9688-9698

2018

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Heterostructures patterned on aluminosilicate microporous substrates: Crystallization of cobalt(III) tris( N,N-diethyldithiocarbamato) on the surface of a HEU-type zeolite

Microporous and mesoporous materials, 2003-07, Vol.61 (1), p.69-77

2003

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

Journal of physical chemistry. C, 2019-08, Vol.123 (34), p.21135-21149

2019

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

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

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

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

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

Core-electron contributions to the molecular magnetic response

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

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

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

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

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

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

Magnetic Response of Aromatic Rings Under Rotation: Aromatic Shielding Cone of Benzene Upon Different Orientations of the Magnetic Field

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

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

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

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

Thorium and uranium uptake by natural zeolitic materials

GIS-type zeolite synthesis from Greek lignite sulphocalcic fly ashes promoted by NaOH solutions

On the cation–π capabilities of small all sp2‐carbon host structures. Evaluation of [6.8]3cyclacene from relativistic DFT calculations

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

EPI-type zeolite synthesis from Greek sulphocalcic fly ashes promoted by H2O2 solutions

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

Heterostructures patterned on aluminosilicate microporous substrates: Crystallization of cobalt(III) tris( N,N-diethyldithiocarbamato) on the surface of a HEU-type zeolite

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

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