Search Results - "Frazão, N F"

On the structural, electronic, and optical properties of L-histidine crystal: a DFT study by Pereira, F. A. R., Macedo-Filho, A., Silva, A. M., Frazão, N. F., Sarmento, R. G., Lima, K. A. L., Melo, J. J. S., Pereira Junior, M. L., Ribeiro Junior, L. A., Freire, V. N.

“…Context The monoclinic L-histidine crystal is critical for protein structure and function and is also found in the myelin of brain nerve cells. This study…”
Get full text

Acetylcholinesterase inhibition, antioxidant activity and toxicity of Peumus boldus water extracts on HeLa and Caco-2 cell lines by Falé, P.L., Amaral, F., Amorim Madeira, P.J., Sousa Silva, M., Florêncio, M.H., Frazão, F.N., Serralheiro, M.L.M.

“…[Display omitted] ► Peumus boldus aqueous extract contains flavonoid derivatives as major components. ► P. boldus aqueous extract have boldine and other…”
Get full text

Glyphosate adsorption on C60 fullerene in aqueous medium for water reservoir depollution by Lima, J. D. M., Gomes, D. S., Frazão, N. F., Soares, D. J. B., Sarmento, R. G.

“…The indiscriminate use of pesticides has caused several damages to the environment, in particular the pollution of water reservoirs, so that this has motivated…”
Get full text

Mott Transition in GdMnO3: an Ab Initio Study by Ferreira, W. S., Moreira, E., Frazão, N. F.

“…Orthorhombic GdMnO 3 is studied using density functional theory considering the pseudo-potential plane-wave method within local-spin-density approximation,…”
Get full text

Electronic Transport in Single-Stranded DNA Molecule Related to Huntington’s Disease by Sarmento, R. G., Silva, R. N. O., Madeira, M. P., Frazão, N. F., Sousa, J. O., Macedo-Filho, A.

“…We report a numerical analysis of the electronic transport in single chain DNA molecule consisting of 182 nucleotides. The DNA chains studied were extracted…”
Get full text

3R and 2H polytypes of MoS2: DFT and DFPT calculations of structural, optoelectronic, vibrational and thermodynamic properties by Coutinho, S.S., Tavares, M.S., Barboza, C.A., Frazão, N.F., Moreira, E., Azevedo, David L.

“…We report the results of a theoretical study on the behavior of the structural, optoelectronic, vibrational, including infrared and Raman theoretical spectra,…”
Get full text

Electronic, optical, vibrational and thermodynamic properties of phaBN structure: A first principles study by Pontes, J.M., Frazão, N.F., Azevedo, David L., Lima, Jonas R.F.

“…[Display omitted] In 2015, a new two dimensional (2D) carbon allotrope, called phagraphene, was theoretically proposed. Based on this structure, we propose…”
Get full text

Electronic, magnetic and optical properties of penta-BN2 nanoribbons: A first principles study by Dantas, M.A.L., Frazão, N.F., Azevedo, David L., Lima, Jonas R.F.

“…[Display omitted] The search for new materials is a very intense task in many technological areas. In 2015, a new variant of graphene was proposed, the…”
Get full text

Electronic transport on the spatial structure of the protein: Three-dimensional lattice model by Sarmento, R.G., Frazão, N.F., Macedo-Filho, A.

“…•The electronic transport on the structure of the three-dimensional lattice model of the protein is studied.•The signing of the current–voltage is directly…”
Get full text

Evidence for flat zero-energy bands in bilayer graphene with a periodic defect lattice by Pinto, A.K.M., Frazão, N.F., Azevedo, D.L., Moraes, F.

“…In this work, we perform ab initio calculations, based on the density functional theory, of the electronic structure of a graphene bilayer with a periodic…”
Get full text

1T’-RuWTe2 hybrid monolayer as a novel magnetic material: A first principles study by Santos, W.O., Pereira, M.V.D., Frazão, N.F., Moreira, E., Azevedo, D.L.

“…The advent of two-dimensional (2D) materials, such as transition metal dichalcogenides (2D-TMD), has led to an extensive amount of interest amongst scientists…”
Get full text

Glyphosate adsorption on C 60 fullerene in aqueous medium for water reservoir depollution by Lima, J D M, Gomes, D S, Frazão, N F, Soares, D J B, Sarmento, R G

“…The indiscriminate use of pesticides has caused several damages to the environment, in particular the pollution of water reservoirs, so that this has motivated…”
Get full text

Electronic, optical, vibrational and thermodynamic properties of phaBN structure: a first principles study by Pontes, J. M, Frazão, N. F, Azevedo, David L, Lima, Jonas R. F

“…In 2015, a new two dimensional (2D) carbon allotrope, called phagraphene, was theoretically proposed. Based on this structure, we propose here a new boron…”
Get full text

Evidence for flat zero-energy bands in bilayer graphene with a periodic defect lattice by Pinto, A. K. M, Frazão, N. F, Azevedo, D. L, Moraes, F

“…In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon…”
Get full text

Penta-belt: A new carbon nanobelt by Miranda, W.D.S.A., Frazão, N.F., Moreira, E., Azevedo, D.L.

“…•Penta-belt is a new type of carbon nanobelt with molecular formula C36H12;.•It has electronic stability comparable to C60.•It behaves like a semiconductor of…”
Get full text

Electronic, magnetic and optical properties of penta-BN$_2$ nanoribbons: a first principles study by Dantas, M. A. L, Frazão, N. F, Azevedo, David L, Lima, Jonas R. F

“…The search for new materials is a very intense task in many technological areas. In 2015, a new variant of graphene was proposed, the pentagraphene, which was…”
Get full text