Search Results - "Sofronov, A.A"

Electronic structure and chemical stabilization of C28 fullerene by Makurin, Yu.N., Sofronov, A.A., Gusev, A.I., Ivanovsky, A.L.

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Electronic structure and chemical stabilization of C 28 fullerene by Makurin, Yu.N., Sofronov, A.A., Gusev, A.I., Ivanovsky, A.L.

“…The ab initio density functional theory (DFT) method was used to carry out self-consistent calculations of the electronic structure of “mixed” C 28-based…”
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Electronic band structure of new quasi-one-dimensional crystals: Zr 8C 12 and Nb 8C 12 clusters inside single-walled carbon, silicon, BN and GaN nanotubes by Ivanovskaya, V.V., Sofronov, A.A., Ivanovskii, A.L.

“…New types of nanocomposites, namely quasi-one-dimensional crystals containing regular chains of metallocarbohedrenes Zr 8C 12 and Nb 8C 12 encapsulated into…”
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Electronic properties of single-walled V2O5 nanotubes by Ivanovskaya, V.V, Enyashin, A.N, Sofronov, A.A, Makurin, Yu.N, Medvedeva, N.I, Ivanovskii, A.L

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Electronic band structure of new quasi-one-dimensional crystals: Zr8C12 and Nb8C12 clusters inside single-walled carbon, silicon, BN and GaN nanotubes by Ivanovskaya, V.V., Sofronov, A.A., Ivanovskii, A.L.

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New one-dimensional crystals of (Sc,Ti,V) 8C 12 metallocarbohedrenes in carbon and boron–nitrogen (12,0) nanotubes: quantum chemical simulation of the electronic structure by Sofronov, A.A, Ivanovskaya, V.V, Makurin, Yu.N, Ivanovskii, A.L

“…Quantum chemical simulation of new quasi-one-dimensional crystals (1D-M 8C 12@(12,0)C,BN-NT) consisting of regular chains of metallocarbohedrenes (met-cars M…”
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New one-dimensional crystals of (Sc, Ti, V)8C12 metallocarbohedrenes in carbon and boron-nitrogen (12, 0) nanotubes: quantum chemical simulation of the electronic structure by SOFRONOV, A. A, IVANOVSKAYA, V. V, MAKURIN, Yu. N, IVANOVSKII, A. L

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Electronic properties of single-walled V 2O 5 nanotubes by Ivanovskaya, V.V, Enyashin, A.N, Sofronov, A.A, Makurin, Yu.N, Medvedeva, N.I, Ivanovskii, A.L

“…Atomistic models of quasi-one-dimensional vanadium pentoxide nanostructures—single-walled nanotubes formed by rolling (010) layers of V 2O 5 are constructed…”
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Quantum chemical simulation of the electronic properties of new ‘hybrid’ nanostructures: metallocarbohedrenes (Sc, Ti, V) 8C 12 incapsulated in single-walled boron–carbon–nitrogen nanotubes by Ivanovskaya, V.V, Sofronov, A.A, Makurin, Yu.N, Ivanovskii, A.L

“…The electronic properties of new quasi-one-dimensional crystals consisting of regular chains of metallocarbohedrenes Sc 8C 12, Ti 8C 12, and V 8C 12 ( T h…”
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Structural and electronic properties of new α-graphyne-based carbon fullerenes by Enyashin, A.N., Sofronov, A.A., Makurin, Y.N., Ivanovskii, A.L.

“…New high-porous fullerene-like molecular forms of carbon (graphyne-like fullerenes) are proposed and their optimized structures, energies, electronic…”
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Quantum chemical simulation of the electronic properties of new ‘hybrid’ nanostructures: metallocarbohedrenes (Sc, Ti, V)8C12 incapsulated in single-walled boron–carbon–nitrogen nanotubes by Ivanovskaya, V.V, Sofronov, A.A, Makurin, Yu.N, Ivanovskii, A.L

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Quantum chemical simulation of the electronic structure and chemical bonding in (6,6), (11,11) and (20,0)-like metal-boron nanotubes by Ivanovskaya, V.V., Enjashin, A.N., Sofronov, A.A., Makurin, Yu.N., Medvedeva, N.I., Ivanovskii, A.L.

“…Using the tight-binding method we carried out the band structure calculations of hypothetical armchair (6,6), (11,11) and zigzag (20,0)-like metal-boron…”
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