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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
1closedAccessaccesoRestringido.pdf.jpg25-may-2022Optimal model of semi-infinite graphene for ab initio calculations of reactions at graphene edges by the example of zigzag edge reconstructionPolynskaya, Yulia G.; Lebedeva, Irina CSIC ORCID; Knizhnik, Andrey A.; Popov, Andrey M.artículo
2openAccesscompanitri.pdf.jpg2017Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitrideLebedeva, Irina CSIC ORCID; Lebedev, Alexander V.; Popov, Andrey M.; Knizhnik, Andrey A.artículo
3openAccesselasticomparison.pdf.jpg2019Elastic constants of graphene: Comparison of empirical potentials and DFT calculationsLebedeva, Irina CSIC ORCID; Minkin, Alexander S.; Popov, Andrey M.; Knizhnik, Andrey A.artículo
4closedAccessaccesoRestringido.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 CSIC ORCID; Lebedev, Alexander V.; Popov, Andrey M.; Knizhnik, Andrey A.artículo
5openAccess11-nov-2021Convergence of DFT results on the zigzag edge reconstruction with respect to the parameters of the model of semi-infinite grapheneLebedeva, Irina CSIC ORCID; Polynskaya, Yulia G.; Knizhnik, Andrey A.; Popov, Andrey M.dataset
6openAccessedgemisma.pdf.jpg2017Edge stacking dislocations in two-dimensional bilayers with a small lattice mismatchLebedeva, Irina CSIC ORCID; Knizhnik, Andrey A.; Popov, Andrey M.artículo