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Browsing by Author Lebedeva, Irina

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openAccessCommensurate_incommensurate.pdf.jpg28-May-2019Commensurate-incommensurate phase transition and a network of domain walls in bilayer graphene with a biaxially stretched layerLebedeva, Irina ; Popov, Andrey M.artículo
openAccesscompanitri.pdf.jpg2017Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitrideLebedeva, Irina ; Lebedev, Alexander V.; Popov, Andrey M.; Knizhnik, Andrey A.artículo
closedAccessaccesoRestringido.pdf.jpgMay-2019Corrigendum to: ¿Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride?Lebedeva, Irina ; Lebedev, Alexander V.; Popov, Andrey M.; Knizhnik, Andrey A.artículo
openAccessedgemisma.pdf.jpg2017Edge stacking dislocations in two-dimensional bilayers with a small lattice mismatchLebedeva, Irina ; Knizhnik, Andrey A.; Popov, Andrey M.artículo
openAccesselasticomparison.pdf.jpg2019Elastic constants of graphene: Comparison of empirical potentials and DFT calculationsLebedeva, Irina ; Minkin, Alexander S.; Popov, Andrey M.; Knizhnik, Andrey A.artículo
openAccessfomationsynthesis.pdf.jpg2017Formation of nickel clusters wrapped in carbon cages: Toward new endohedral metallofullerene synthesisSinitsa, Alexander S.; Chamberlain, Thomas W.; Zoberbier, Thilo; Lebedeva, Irina ; Popov, Andrey M.; Knizhnik, Andrey A.; McSweeney, Robert L.; Biskupek, Johannes; Kaiser, Ute; Khlobystov, Andrei N.artículo
openAccessnickel–carbon.pdf.jpg2014Formation of nickel-carbon heterofullerenes under electron irradiationSinitsa, Alexander S.; Lebedeva, Irina ; Popov, Andrey M.artículo
openAccessalumina low temperatures.pdf.jpg2014Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperaturesPérez Paz, Alejandro; Lebedeva, Irina ; Tokatly, I. V. ; Rubio, Angel artículo
openAccesslongBrenner.pdf.jpg2018Long triple carbon chains formation by heat treatment of graphene nanoribbon: Molecular dynamics study with revised Brenner potentialSinitsa, Alexander S.; Lebedeva, Irina ; Popov, Andrey M.; Knizhnik, Andrey A.artículo
openAccessOrbital_magneto.pdf.jpg6-Mar-2019Orbital magneto-optical response of periodic insulators from first principlesLebedeva, Irina ; Strubbe, David A.; Tokatly, I. V. ; Rubio, Ángelartículo
openAccessRealTime_Propagation.pdf.jpg11-Jun-2019Real-Time propagation TDDFT and density analysis for exciton coupling calculations in large systemsJornet-Somoza, Joaquim; Lebedeva, Irina artículo
openAccessGarciaArribas_JChemPhys_2020_postprint.pdf.jpg27-May-2020Siesta: Recent developments and applicationsGarcía Arribas, Alberto ; Papior, Nick; Akhtar, Arsalan; Artacho, Emilio; Blum, Volker; Bosoni, Emanuele; Brandimarte, Pedro; Brandbyge, Mads; Cerdá, J. I.; Corsetti, Fabiano; Cuadrado, Ramón ; Dikan, Vladimir ; Ferrer, Jaime ; Gale, Julian; García Fernández, Pablo; García Suárez, V. M.; García, Sandra; Huhs, Georg; Illera, Sergio; Korytár, Richard ; Koval, Peter; Lebedeva, Irina ; Lin, Lin; López Tarifa, Pablo; Mayo, Sara G.; Mohr, Stephan; Ordejón, Pablo ; Postnikov, Andrei; Pouillon, Yann ; Pruneda, Miguel ; Robles, Roberto ; Sánchez-Portal, Daniel  ; Soler, Jose M.; Ullah, Rafi; Yu, Victor Wen-zhe; Junquera, Javierartículo
openAccessstackintera.pdf.jpg2017Stacking in incommensurate graphene/hexagonal-boron-nitride heterostructures based on ab initio study of interlayer interactionLebedev, Alexander V.; Lebedeva, Irina ; Popov, Andrey M.; Knizhnik, Andrey A.artículo
openAccessblayernanos.pdf.jpg2018Structure and energetics of carbon, hexagonal boron nitride, and carbon/hexagonal boron nitride single-layer and bilayer nanoscrollsSiahlo, Andrei I.; Poklonski, Nikolai A.; Lebedev, Alexander V.; Lebedeva, Irina ; Popov, Andrey M.; Vyrko, Sergey A.; Knizhnik, Andrey A.; Lozovik, Yurii E.artículo
openAccessTDDFT of magneto-optical.pdf.jpg2014TDDFT of magneto-optical response of solidsLebedeva, Irina ; Tokatly, I. V. ; Rubio, Angel presentación
openAccessbenasque_lebedeva_poster_0.pdf.jpg2014TDDFT of magneto-optical response of solidsLebedeva, Irina ; Tokatly, I. V. ; Rubio, Angel póster de congreso
openAccesselectron beam.pdf.jpg2014The atomistic mechanism of carbon nanotube cutting catalyzed by nickel under an electron beamLebedeva, Irina ; Popov, Andrey M.; Khlobystov, Andrei N.artículo
openAccesstransfuller.pdf.jpg2017Transformation of amorphous carbon clusters to fullerenesSinitsa, Alexander S.; Lebedeva, Irina ; Popov, Andrey M.; Knizhnik, Andrey A.artículo
openAccessal_dpg_lebedeva.pdf.jpg2014Two-level tunneling systems in amorphous aluminaPaz, Alejandro; Lebedeva, Irina ; Tokatly, I. V. ; Rubio, Angel presentación
openAccesstunneling systems.pdf.jpg2013Two-level tunneling systems in amorphous aluminaLebedeva, Irina ; Paz, Alejandro; Tokatly, I. V. ; Rubio, Angel póster de congreso