The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40
Publication type: Journal Article
Publication date: 2020-11-01
scimago Q3
wos Q3
SJR: 0.305
CiteScore: 3.0
Impact factor: 1.7
ISSN: 09599436, 1364551X
General Chemistry
Abstract
The molecular structures of non-IPR C40 fullerene isomers 31 (Cs), 38 (D2) and 39 (D5d) were studied using a semiempirical approach developed earlier for higher fullerenes. Quantumchemical calculations (DFT) showed that they have closed shells. The distributions of single, double and delocalized π bonds in the test isomer molecules and their molecular formulas are presented for the first time.
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Khamatgalimov A. et al. The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40 // Mendeleev Communications. 2020. Vol. 30. No. 6. pp. 725-727.
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Khamatgalimov A., Idrisov R. I., Kamaletdinov I. I., Kovalenko V. The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40 // Mendeleev Communications. 2020. Vol. 30. No. 6. pp. 725-727.
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TY - JOUR
DO - 10.1016/j.mencom.2020.11.012
UR - https://doi.org/10.1016/j.mencom.2020.11.012
TI - The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40
T2 - Mendeleev Communications
AU - Khamatgalimov, A.R
AU - Idrisov, Rustem I
AU - Kamaletdinov, Ilnaz I
AU - Kovalenko, V.I.
PY - 2020
DA - 2020/11/01
PB - OOO Zhurnal "Mendeleevskie Soobshcheniya"
SP - 725-727
IS - 6
VL - 30
SN - 0959-9436
SN - 1364-551X
ER -
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@article{2020_Khamatgalimov,
author = {A.R Khamatgalimov and Rustem I Idrisov and Ilnaz I Kamaletdinov and V.I. Kovalenko},
title = {The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40},
journal = {Mendeleev Communications},
year = {2020},
volume = {30},
publisher = {OOO Zhurnal "Mendeleevskie Soobshcheniya"},
month = {nov},
url = {https://doi.org/10.1016/j.mencom.2020.11.012},
number = {6},
pages = {725--727},
doi = {10.1016/j.mencom.2020.11.012}
}
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MLA
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Khamatgalimov, A.R, et al. “The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40.” Mendeleev Communications, vol. 30, no. 6, Nov. 2020, pp. 725-727. https://doi.org/10.1016/j.mencom.2020.11.012.
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