Switching on magnetism in Ni-doped graphene: Density functional calculations EJG Santos, A Ayuela, SB Fagan, J Mendes Filho, DL Azevedo, ... Physical Review B—Condensed Matter and Materials Physics 78 (19), 195420, 2008 | 126 | 2008 |
Structural, optoelectronic, infrared and Raman spectra of orthorhombic SrSnO3 from DFT calculations E Moreira, JM Henriques, DL Azevedo, EWS Caetano, VN Freire, ... Journal of Solid State Chemistry 184 (4), 921-928, 2011 | 123 | 2011 |
Graphene nanoflakes: thermal stability, infrared signatures, and potential applications in the field of spintronics and optical nanodevices AM Silva, MS Pires, VN Freire, EL Albuquerque, DL Azevedo, ... The Journal of Physical Chemistry C 114 (41), 17472-17485, 2010 | 100 | 2010 |
Structural and electronic properties of SrxBa1− xSnO3 from first principles calculations E Moreira, JM Henriques, DL Azevedo, EWS Caetano, VN Freire, ... Journal of Solid State Chemistry 187, 186-194, 2012 | 71 | 2012 |
Structural and optoelectronic properties, and infrared spectrum of cubic BaSnO3 from first principles calculations E Moreira, JM Henriques, DL Azevedo, EWS Caetano, VN Freire, ... Journal of Applied Physics 112 (4), 2012 | 69 | 2012 |
Band structure of monolayer transition-metal dichalcogenides and topological properties of their nanoribbons: Next-nearest-neighbor hopping AC Dias, F Qu, DL Azevedo, J Fu Physical Review B 98 (7), 075202, 2018 | 56 | 2018 |
Anhydrous crystals of DNA bases are wide gap semiconductors FF Maia, VN Freire, EWS Caetano, DL Azevedo, FAM Sales, ... The Journal of chemical physics 134 (17), 2011 | 56 | 2011 |
3R and 2H polytypes of MoS2: DFT and DFPT calculations of structural, optoelectronic, vibrational and thermodynamic properties SS Coutinho, MS Tavares, CA Barboza, NF Frazão, E Moreira, ... Journal of Physics and Chemistry of Solids 111, 25-33, 2017 | 54 | 2017 |
Computational and experimental approaches for development of methotrexate nanosuspensions by bottom-up nanoprecipitation AM Dos Santos, FC Carvalho, DA Teixeira, DL Azevedo, WM de Barros, ... International Journal of Pharmaceutics 524 (1-2), 330-338, 2017 | 47 | 2017 |
Tunable spin and valley dependent magneto-optical absorption in molybdenum disulfide quantum dots F Qu, AC Dias, J Fu, L Villegas-Lelovsky, DL Azevedo Scientific reports 7 (1), 41044, 2017 | 39 | 2017 |
Two-Level Adsorption of Ibuprofen on C60 Fullerene for Transdermal Delivery: Classical Molecular Dynamics and Density Functional Theory Computations A Hadad, DL Azevedo, EWS Caetano, VN Freire, GLF Mendonca, ... The Journal of Physical Chemistry C 115 (50), 24501-24511, 2011 | 27 | 2011 |
The fractal geometry of growth: Fluctuation–dissipation theorem and hidden symmetry PHR dos Anjos, MS Gomes-Filho, WS Alves, DL Azevedo, FA Oliveira Frontiers in Physics 9, 741590, 2021 | 21 | 2021 |
Four-level levodopa adsorption on C 60 fullerene for transdermal and oral administration: a computational study NF Frazao, EL Albuquerque, UL Fulco, DL Azevedo, GLF Mendonça, ... RSC advances 2 (22), 8306-8322, 2012 | 21 | 2012 |
Monoclinic and orthorhombic cysteine crystals are small gap insulators JR Cândido-Júnior, FAM Sales, SN Costa, P de Lima-Neto, DL Azevedo, ... Chemical Physics Letters 512 (4-6), 208-210, 2011 | 20 | 2011 |
Ab initio vibrational and thermodynamic properties of adamantane, sila-adamantane (Si10H16), and C9Si1H16 isomers W Miranda, SS Coutinho, MS Tavares, E Moreira, DL Azevedo Journal of Molecular Structure 1122, 299-308, 2016 | 19 | 2016 |
Optoelectronic and thermodynamic properties, infrared and Raman spectra of NbO2 and Nb2O5 from DFT formalism RC Carvalho, MEV Mendonça, MS Tavares, E Moreira, DL Azevedo Journal of Physics and Chemistry of Solids 163, 110549, 2022 | 17 | 2022 |
Electronic, optical, vibrational and thermodynamic properties of phabn structure: A first principles study JM Pontes, NF Frazão, DL Azevedo, JRF Lima Computational Materials Science 188, 110210, 2021 | 16 | 2021 |
Scattering of low-energy electrons by TiCl4, GeCl4, SiCl4 and CCl4: a comparison of elastic cross sections DL Azevedo, MHF Bettega, LG Ferreira, MAP Lima Journal of Physics B: Atomic, Molecular and Optical Physics 33 (24), 5467, 2000 | 16 | 2000 |
Electronic, magnetic and optical properties of penta-BN2 nanoribbons: A first principles study MAL Dantas, NF Frazao, DL Azevedo, JRF Lima Computational Materials Science 190, 110275, 2021 | 13 | 2021 |
Encapsulated β-carotene in ZnO nanotubes: Theoretical insight into the stabilization dynamics FF Monteiro, DL Azevedo, EC da Silva, LA Ribeiro Jr, ... Chemical Physics Letters 636, 62-66, 2015 | 13 | 2015 |