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Quantum-chemical simulation of the interaction between the Ti8C12 metallocarbohedrene and the CHCl3 molecule

Alexander Leonidovich Ivanovskii 1
Alexander Leonidovich Ivanovskii
, 
Andrei Aleksandrovich Sofronov 2
Andrei Aleksandrovich Sofronov
, 
Yury Nikolaevich Makurin 2
Yury Nikolaevich Makurin
10.1070/MC2001v011n02ABEH001340
Published 2001-04-24
Communication , Volume 11, Issue 2, 59-61
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Ivanovskii A. L., Sofronov A. A., Makurin Y. N. Quantum-chemical simulation of the interaction between the Ti8C12 metallocarbohedrene and the CHCl3 molecule // Mendeleev Communications. 2001. Vol. 11. No. 2. pp. 59-61.
GOST all authors (up to 50) Copy
Ivanovskii A. L., Sofronov A. A., Makurin Y. N. Quantum-chemical simulation of the interaction between the Ti8C12 metallocarbohedrene and the CHCl3 molecule // Mendeleev Communications. 2001. Vol. 11. No. 2. pp. 59-61.
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TY - JOUR
DO - 10.1070/MC2001v011n02ABEH001340
UR - https://mendcomm.colab.ws/publications/10.1070/MC2001v011n02ABEH001340
TI - Quantum-chemical simulation of the interaction between the Ti8C12 metallocarbohedrene and the CHCl3 molecule
T2 - Mendeleev Communications
AU - Ivanovskii, Alexander Leonidovich
AU - Sofronov, Andrei Aleksandrovich
AU - Makurin, Yury Nikolaevich
PY - 2001
DA - 2001/04/24
PB - Mendeleev Communications
SP - 59-61
IS - 2
VL - 11
ER -
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@article{2001_Ivanovskii,
author = {Alexander Leonidovich Ivanovskii and Andrei Aleksandrovich Sofronov and Yury Nikolaevich Makurin},
title = {Quantum-chemical simulation of the interaction between the Ti8C12 metallocarbohedrene and the CHCl3 molecule},
journal = {Mendeleev Communications},
year = {2001},
volume = {11},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1070/MC2001v011n02ABEH001340},
number = {2},
pages = {59--61},
doi = {10.1070/MC2001v011n02ABEH001340}
}
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Ivanovskii, Alexander Leonidovich, et al. “Quantum-chemical simulation of the interaction between the Ti8C12 metallocarbohedrene and the CHCl3 molecule.” Mendeleev Communications, vol. 11, no. 2, Apr. 2001, pp. 59-61. https://mendcomm.colab.ws/publications/10.1070/MC2001v011n02ABEH001340.

Abstract

The interactions of the Ti8C12 metallocarbohedrene with halogen-containing addends are discussed on the basis of ab initio calculations of the Ti8C12(CHCl3) adduct.

References

1.
Reactions of Titanium-Carbon Cluster Cations with Acetone: New Evidence for the Stability of the Met-Cars
Kerns K.P., Guo B.C., Deng H.T., Castleman A.W.
Journal of the American Chemical Society, 1995
2.
Studies of Met-Car Adducts:  Ti8C12+(M)n (M = Halogens, π-Bonding Molecules, and Polar Molecules)
Deng H.T., Kerns K.P., Castleman A.W.
Journal of the American Chemical Society, 1996
5.
10.1070/MC2001v011n02ABEH001340_bib5
Pradeep
Curr. Sci., 1995
6.
10.1070/MC2001v011n02ABEH001340_bib6
Selvan
Curr. Sci., 1998
7.
10.1070/MC2001v011n02ABEH001340_bib7
Makurin
Dokl. Ross. Akad. Nauk, 2000
8.
10.1070/MC2001v011n02ABEH001340_bib8
Sofronov
Koord. Khim., 1999
9.
10.1070/MC2001v011n02ABEH001340_bib9
Energii razryva khimicheskikh svyazei. Ionizatsionnye potentsialy i srodstvo k elektronu, 1974
10.
10.1070/MC2001v011n02ABEH001340_bib10
Makurin
Dokl. Ross. Akad. Nauk, 1999
11.
Defect clusters in wustiteFe1−xO
Press M.R., Ellis D.E.
Physical Review B, 1987
12.
A. A. Sofronov, PhD Thesis, Institute of Solid State Chemistry, Ekaterinburg, 2000.