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Research article

First published 2017-2

Electronic properties of the intermetallic compound Ti 2 In 5 using the density functional theory

Pábel J. Machado F, Ney Luiggi A

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2014-1

Study of electronic properties of Al 3 Ti,AlTi and AlTi 3 intermetallic compounds using DFT-FPLAPW

F. Pabel J. Machado, Ney Luiggi A.

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2022-5

Combination of optical properties acquired by first principles calculations with the empirical Tauc method for determining the band gap energy of alkaline-earth metal oxides: MO (M = Be,Mg,Ca,Sr,Ba)

Bachir Kharroubi, Mohamed Bousmaha, Mohamed Amine Bezzerrouk [...]

Journal of Computational Methods in Sciences and Engineering

Free access

Research article

First published 2017-3

Structural,Electronic and Optical Properties of InAs Phases: By GGA-PBG and GGA-EV Approximations

Leila Sohrabi, Arash Boochani, S. Ali Sebt [...]

Journal of Chemical Research

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Research article

First published 2017-2

Molecular characterization of the adsorptive properties of extended graphene towards polyaromatic compounds of environmental interest: chrysene,benzo[a]anthracene,benzo[a]pyrene and benzo[b]fluoranthene

Vianeis Araujo, Nestor Cubillán, Oscar Lindo-Oñate [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2014-1

Electrical resistivity anomaly: A consequence of nanometric particles in a metal matrix

Diego Subero, Ney Luiggi

Journal of Computational Methods in Sciences and Engineering

Open access

Research article

First published 2017-6

First-Principles Calculation of Adsorption of Shale Gas on CaCO 3 (100) Surfaces

Qiang Luo, Yikun Pan, Ping Guo [...]

Journal of Applied Biomaterials & Functional Materials

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Electronic properties of the intermetallic compound Ti 2 In 5 using the density functional theory

Study of electronic properties of Al 3 Ti,AlTi and AlTi 3 intermetallic compounds using DFT-FPLAPW

Combination of optical properties acquired by first principles calculations with the empirical Tauc method for determining the band gap energy of alkaline-earth metal oxides: MO (M = Be,Mg,Ca,Sr,Ba)

Structural,Electronic and Optical Properties of InAs Phases: By GGA-PBG and GGA-EV Approximations

Molecular characterization of the adsorptive properties of extended graphene towards polyaromatic compounds of environmental interest: chrysene,benzo[a]anthracene,benzo[a]pyrene and benzo[b]fluoranthene

Electrical resistivity anomaly: A consequence of nanometric particles in a metal matrix

First-Principles Calculation of Adsorption of Shale Gas on CaCO 3 (100) Surfaces