Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Ab initio study of the electronic and atomic structure of the wolframite-type ZnWO4Kalinko, A. ; Kuzmin, A. ; Evarestov, R.A.Solid state communications, 2009-03, Vol.149 (11-12), p.425-428 [Periódico revisado por pares]Texto completo disponível |
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2 |
Material Type: Artigo
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Four-faceted nanowires generated from densely-packed TiO2 rutile surfaces: Ab initio calculationsEvarestov, R.A. ; Zhukovskii, Yu.F.Surface science, 2013-02, Vol.608, p.226-240 [Periódico revisado por pares]Kidlington: Elsevier B.VTexto completo disponível |
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3 |
Material Type: Artigo
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Adsorption of water on (001) surface of SrTiO3 and SrZrO3 cubic perovskites: Hybrid HF-DFT LCAO calculationsEvarestov, R.A. ; Bandura, A.V. ; Alexandrov, V.E.Surface science, 2007-04, Vol.601 (8), p.1844-1856 [Periódico revisado por pares]Texto completo disponível |
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4 |
Material Type: Artigo
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Quantum mechanics based classical molecular dynamics study of water adsorption on (001) SrMO3 surfaces (M=Ti, Zr)Lukyanov, S.I. ; Bandura, A.V. ; Evarestov, R.A.Surface science, 2013-05, Vol.611, p.10-24 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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5 |
Material Type: Artigo
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First-principles comparative study of perfect and defective CsPbX3 (X = Br, I) crystalsEvarestov, R A ; Kotomin, E A ; Senocrate, A ; Kremer, R K ; Maier, JPhysical chemistry chemical physics : PCCP, 2020-02, Vol.22 (7), p.3914-3920 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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6 |
Material Type: Artigo
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Ab initio LCAO study of the atomic, electronic and magnetic structures and the lattice dynamics of triclinic CuWO4Kuzmin, A. ; Kalinko, A. ; Evarestov, R.A.Acta materialia, 2013-01, Vol.61 (1), p.371-378 [Periódico revisado por pares]Kidlington: Elsevier LtdTexto completo disponível |
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7 |
Material Type: Artigo
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First-principles study on stability, structural and electronic properties of monolayers and nanotubes based on pure Mo(W)S(Se)2 and mixed (Janus) Mo(W)SSe dichalcogenidesEvarestov, R.A. ; Kovalenko, A.V. ; Bandura, A.V.Physica. E, Low-dimensional systems & nanostructures, 2020-01, Vol.115, p.113681, Article 113681 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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8 |
Material Type: Artigo
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From anatase (101) surface to TiO2 nanotubes: Rolling procedure and first principles LCAO calculationsBandura, A.V. ; Evarestov, R.A.Surface science, 2009-09, Vol.603 (18), p.L117-L120 [Periódico revisado por pares]Texto completo disponível |
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9 |
Material Type: Artigo
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New Force Field for Simulating Multi-Walled Tubes Based on Mo[S.sub.2]Bandura, A.V ; Lukyanov, S.I ; Evarestov, R.ARussian journal of general chemistry, 2018-12, Vol.88 (12), p.2695 [Periódico revisado por pares]SpringerTexto completo disponível |
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10 |
Material Type: Artigo
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Atomistic modeling of polar LaMnO3 surfacesHeifets, E ; Evarestov, R.A ; Kotomin, E.A ; Dorfman, S ; Maier, JSensors and actuators. B, Chemical, 2004-06, Vol.100 (1-2), p.81-87 [Periódico revisado por pares]Texto completo disponível |