| 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 | 118 | 2011 |
| 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 | 70 | 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 | 67 | 2012 |
| Optical absorption and DFT calculations in -aspartic acid anhydrous crystals: Charge carrier effective masses point to semiconducting behavior AM Silva, BP Silva, FAM Sales, VN Freire, E Moreira, UL Fulco, ... Physical Review B 86 (19), 195201, 2012 | 56 | 2012 |
| Vibrational and thermodynamic properties of orthorhombic CaSnO3 from DFT and DFPT calculations E Moreira, CA Barboza, EL Albuquerque, UL Fulco, JM Henriques, ... Journal of Physics and Chemistry of Solids 77, 85-91, 2015 | 53 | 2015 |
| 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 | 52 | 2017 |
| Ordering and phonons in Ba3CaNb2O9 complex perovskite JEFS Rodrigues, E Moreira, DM Bezerra, AP Maciel, ... Materials Research Bulletin 48 (9), 3298-3303, 2013 | 25 | 2013 |
| Structural, optoelectronic, infrared and Raman spectra from first principles calculations of γ-Cd (OH) 2 JM Henriques, CA Barboza, EL Albuquerque, UL Fulco, E Moreira Journal of Physics and Chemistry of Solids 76, 45-50, 2015 | 18 | 2015 |
| 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 | 17 | 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 | 14 | 2022 |
| Prediction of electronic and optical properties of monoclinic 1T’-phase OsSe2 monolayer using DFT principles FMO Moucherek, WO Santos, ALF Novais, E Moreira, DL Azevedo Materials Today Communications 33, 104764, 2022 | 7 | 2022 |
| β-Carotene encapsulation into single-walled carbon nanotubes: a theoretical study E Moreira, V Lemos, DS Galvao, DL Azevedo Molecular Simulation 36 (13), 1031-1034, 2010 | 7 | 2010 |
| Encapsulamento de [beta]-caroteno em nanotubos de carbono utilizando modelagem molecular E Moreira Universidade Federal do Maranhão, 2008 | 7 | 2008 |
| A DFT comparative study of cyclo [18] nanorings: Carbon, BN and BCN LS Barbosa, E Moreira, L Villegas-Lelovsky, R Paupitz, DL Azevedo Journal of Cluster Science 34 (3), 1465-1473, 2023 | 6 | 2023 |
| Cubane and cubanoid: Structural, optoelectronic and thermodynamic properties from DFT and TD-DFT method LS Barbosa, E Moreira, AR Lopes, ALA Fonseca, DL Azevedo Journal of Molecular Graphics and Modelling 103, 107820, 2021 | 5 | 2021 |
| Penta-belt: A new carbon nanobelt W Miranda, NF Frazão, E Moreira, DL Azevedo Journal of Molecular Structure 1263, 133055, 2022 | 4 | 2022 |
| First-principle investigation of boron nitride nanobelt LS Barbosa, BCC de Almeida, E Moreira, DL Azevedo Computational and Theoretical Chemistry 1208, 113571, 2022 | 4 | 2022 |
| Mott Transition in GdMnO3: an Ab Initio Study WS Ferreira, E Moreira, NF Frazão Brazilian Journal of Physics 48, 126-129, 2018 | 3 | 2018 |
| Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation KM Garcez, E Moreira, DL Azevedo, DS Galvao Molecular Simulation 36 (9), 639-643, 2010 | 3 | 2010 |
| First-principles calculations to investigate optoelectronic and thermodynamic properties of new 1T’-RuOsSe2 hybrid monolayer LRP Bittencourt, WO Santos, FMO Moucherek, E Moreira, LS Barbosa, ... International Journal of Modern Physics C (IJMPC) 35 (01), 1-11, 2024 | 2 | 2024 |
David AzevedoPhysics Institute of Brasilia University - UnBVerified email at fis.unb.br
