Structural, electronic, vibrational and optical properties of all 23 isolated-pentagon rule isomers of C58N2 azafullerene; a DFT study-Reference-Cited by-同舟云学术

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Structural, electronic, vibrational and optical properties of all 23 isolated-pentagon rule isomers of C58N2 azafullerene; a DFT study

Published:2021-02 Issue: Volume:1196 Page:113123
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Nekoei A-Reza,Hamzavi Hamzekhani Zahra

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference69 articles.

1. C60: Buckminsterfullerene;Kroto;Nature 318,1985

2. Science of Fullerenes and Carbon Nanotubes: Their Properties and Applications;Dresselhaus,1996

3. Atoms in carbon cages: the structure and properties of endohedral fullerenes;Bethune;Nature,1993

4. Formation of endohedral Ni@C60 and exohedral Ni–C60 metallofullerene complexes by simulated ion implantation;Neyts;Carbon,2009

5. Geometric and electronic structures of metal-substitutional fullerene C59Sm and metal-exohedral fullerenes C60Sm;Lu;J. Chem. Phys.,2006

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Investigating the effect of electrostatic field on electronic structures of C58N2 molecules from SCC-DFTB simulations;Chemical Physics Letters;2023-12

2. Introducing a novel C50N10 azafullerene with chained nitrogen atoms on a buckyball pole: structure, stability, vibration, and electronic properties;Journal of Molecular Modeling;2023-06

3. Fully conjugated azacorannulene dimer as large diaza[80]fullerene fragment;Nature Communications;2022-03-21

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