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Source: Journal of Chemical Physics. 2016. Vol. 145, № 11. P. 114309-1-114309-16
Type: статьи в журналах
Date: 2016
Description:
Full 9-dimensional ab initio potential energy surfaces for the methane molecule are constructed using extended electronic structure coupled-cluster calculations with various series of basis sets follo
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Authors:
Atuchin, Victor V. |
Gavrilova, Tatiana A. |
Gudkova, S. A. |
Isaenko, L. I. |
Jiang, Xingxing |
Pokrovsky, Lev D. |
Prosvirin, Igor P. |
Mashkovtseva, L. S. |
Lin, Zheshuai |
Vinnik, D. A.
Source: The Journal of Physical Chemistry C. 2016. Vol. 120, № 9. P. 5114-5123
Type: статьи в журналах
Date: 2016
Description:
The barium hexaferrite, BaFe12O19, microcrystals were obtained by the flux crystal growth method and were characterized by XRD, SEM, and TEM methods. XPS measurements were carried out on a powder samp
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Source: Journal of physical chemistry C. 2016. Т. Vol. 120, № 12. С. P. 6876-6884
Type: статьи в журналах
Date: 2016
Description:
We investigate the electronic structure and chemical activity of rippled phosphorene induced by large compressive strains via first-principles calculation. It is found that phosphorene is extraordinar
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Authors:
Usachov, Dmitry Yu. |
Vilkov, Oleg Yu. |
Petukhov, Anatoly E. |
Rybkin, Artem G. |
Ernst, Arthur |
Otrokov, Mikhail M. |
Chulkov, Evgueni V. |
Ogorodnikov, Ilya I. |
Kuznetsov, Mikhail V. |
Fedorov, Alexander V. |
Yashina, Lada V. |
Kataev, Elmar Yu. |
Erofeevskaya, Anna V. |
Voroshin, Vladimir Yu. |
Adamchuk, Vera K. |
Laubschat, Clemens |
Vyalikh, Denis V.
Source: Nano letters. 2016. Vol. 16, № 7. P. 4535-4543
Type: статьи в журналах
Date: 2016
Description:
The implementation of future graphene-based electronics is essentially restricted by the absence of a band gap in the electronic structure of graphene. Options of how to create a band gap in a reprodu
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Source: Scientific Reports [Еlectronic resource]. 2016. Vol. 6. P. 20734 (1-7)
Type: статьи в журналах
Date: 2016
Description:
Strong topological insulators (TIs) support topological surfaces states on any crystal surface. In contrast, a weak, time-reversal-symmetry-driven TI with at least one non-zero v1, v2, v3 ℤ2 index sho
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Source: Физика твердого тела : сборник материалов XV Российской научной студенческой конференции, 18-20 мая 2016 г., г. Томск, Россия. Томск, 2016. С. 60-62
Type: статьи в сборниках
Date: 2016