Поисковый запрос: (<.>S=AB-INITIO<.>) |
Общее количество найденных документов : 15
Показаны документы с 1 по 10 |
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1.
| Avramov P. V. Atomic-core dynamics and the electronic structure of some endo- and exohedral complexes of fullerenes with light elements/P. V. Avramov, S. A. Varganov, S. G. Ovchinnikov // Physics of the Solid State, 2000. т.Vol. 42,N Is. 11.-С.2168-2175
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2.
| Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO(001)/V. A. Nasluzov [et al.] // JOURNAL OF CHEMICAL PHYSICS:AMER INST PHYSICS, 2001. т.Vol. 115,N Is. 17.-С.8157-8171
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3.
| Band-gap unification of partially Si-substituted single-wall carbon nanotubes/P. V. Avramov [et al.] // PHYSICAL REVIEW B:AMER PHYSICAL SOC, 2006. т.Vol. 74,N Is. 24.- Ст.245417
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4.
| Mobility of Vacancies under Deformation and Their Effect on the Elastic Properties of Graphene/A. S. Fedorov [et al.] // JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS:MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. т.Vol. 112,N Is. 5.-С.820-824
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5.
| Theoretical Study of Vacancies and Adatoms in White Graphene/A. A. Kuzubov [et al.] // JETP Letters, 2011. т.Vol. 93,N Is. 6.-С.335-338
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6.
| DFT investigation of the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene-like SiC and BN structures/A. S. Fedorov [et al.] // Physica status solidi B - Basic Solid State Physics, 2012. т.Vol. 249,N Is. 12.-С.2549-2552
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7.
| Theoretical study of the diffusion of lithium in crystalline and amorphous silicon/A. S. Fedorov [et al.] // JETP Letters, 2012. т.Vol. 95,N Is. 3.-С.143-147
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8.
| Possibility of a 2D SiC monolayer formation on Mg(0001) and MgO(111) substrates/A. A. Kuzubov [et al.] // Russian Journal of Physical Chemistry A:MAIK Nauka-Interperiodica / Springer, 2013. т.Vol. 87,N Is. 8.-С.1332-1335
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9.
| Photoluminescence tuning via cation substitution in oxonitridosilicate phosphors: DFT calculations, different site occupations, and luminescence mechanisms/G. Li [et al.] // Chemistry of Materials:American Chemical Society, 2014. т.Vol. 26,N Is. 9.-С.2991-3001
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10.
| Contact-induced spin polarization in BNNT(CNT)/TM (TM=Co, Ni) nanocomposites/A. A. Kuzubov [et al.] // Journal of Applied Physics:American Institute of Physics, 2014. т.Vol. 116,N Is. 8.- Ст.084309
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