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
124 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
72 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
71 2012 Optical absorption and DFT calculations in AM Silva, BP Silva, FAM Sales, VN Freire, E Moreira, UL Fulco, ...
Physical Review B—Condensed Matter and Materials Physics 86 (19), 195201, 2012
62 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
59 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
55 2017 Ordering and phonons in Ba3CaNb2O9 complex perovskite JEFS Rodrigues, E Moreira, DM Bezerra, AP Maciel, ...
Materials Research Bulletin 48 (9), 3298-3303, 2013
26 2013 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
20 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
19 2022 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 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
11 2023 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
9 2022 First-principle investigation of boron nitride nanobelt LS Barbosa, BCC de Almeida, E Moreira, DL Azevedo
Computational and Theoretical Chemistry 1208, 113571, 2022
9 2022 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
9 2021 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
8 2010 Penta-belt: A new carbon nanobelt W Miranda, NF Frazão, E Moreira, DL Azevedo
Journal of Molecular Structure 1263, 133055, 2022
7 2022 Encapsulamento de [beta]-caroteno em nanotubos de carbono utilizando modelagem molecular E Moreira
Universidade Federal do Maranhão, 2008
7 2008 Structural, optoelectronic, excitonic, vibrational, and thermodynamic properties of 1T’-OsO2 monolayer via ab initio calculations WO Santos, FMO Moucherek, AC Dias, E Moreira, DL Azevedo
Journal of Applied Physics 134 (7), 2023
6 2023 1T’-RuO WO Santos, FMO Moucherek, AC Dias, E Moreira, DL Azevedo
Journal of Materials Research 38 (15), 3677-3689, 2023
5 2023 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 35 (01), 2450001, 2024
3 2024 
David AzevedoPhysics Institute of Brasilia University - UnBZweryfikowany adres z fis.unb.br
