Novel X- and Y-substituted heterofullerenes X4Y4C12 developed from the nanocage C20, where X = B, Al, Ga, Si and Y = N, P, As, Ge: a comparative investigation on their structural, stability, and electronic properties at DFT-Reference-Cited by-同舟云学术

Novel X- and Y-substituted heterofullerenes X4Y4C12 developed from the nanocage C20, where X = B, Al, Ga, Si and Y = N, P, As, Ge: a comparative investigation on their structural, stability, and electronic properties at DFT

Published:2018-01-22 Issue:3 Volume:29 Page:909-920
ISSN:1040-0400
Container-title:Structural Chemistry
language:en
Short-container-title:Struct Chem

Author:

Koohi Maryam^ORCID,Soleimani-Amiri Somayeh,Shariati Minoo

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics

Link

http://link.springer.com/article/10.1007/s11224-017-1071-3/fulltext.html

Reference73 articles.

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3. Vostrowsky O, Hirsch A (2006) Heterofullerenes. Chem Rev 106:5191–5207

4. Kassaee MZ, Buazar F, Koohi M (2010) Heteroatom impacts on structure, stability and aromaticity of XnC20-n fullerenes: a theoretical prediction. J Mol Struct (THEOCHEM) 940:19–28

5. Soleimani Amiria S, Koohi M, Mirza B (2016) Characterizations of B, and N heteroatoms as substitutional doping on structure, stability, and aromaticity of novel heterofullerenes evolved from the smallest fullerene cage C20: a density functional theory perspective. J Phys Org Chem 29:514–522

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