Zobrazeno 1 - 4
of 4
pro vyhledávání: '"A. C. Martínez-Olguín"'
Publikováno v:
Journal of Molecular Modeling. 27
Structural, electronic, binding energies and magnetic properties of aluminum-doped and single vacancy blue phosphorene interacting with pollutant molecules are investigated using the density functional theory (DFT) with periodic boundary conditions.
Autor:
María G. Moreno-Armenta, R. Ponce-Pérez, C.A. Corona-García, D.M. Hoat, Gregorio H. Cocoletzi, Leonardo Morales de la Garza, A. C. Martínez-Olguín
Publikováno v:
Journal of Crystal Growth. 551:125907
Structural, electronic and magnetic properties of the nickel doped AlN (0 0 0 1)-(2 × 2) surfaces are investigated by spin-polarized first-principle total-energy calculations. The exchange–correlation potential energies are treated within the gene
Autor:
Narelle, Montañez-Godínez, Aracely C, Martínez-Olguín, Omar, Deeb, Ramón, Garduño-Juárez, Guillermo, Ramírez-Galicia
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 1260
Quantitative Structure-Activity Relationships (QSARs) and Quantitative Structure-Property Relationships (QSPRs) are mathematical models used to describe and predict a particular activity/property of compounds. On the other hand, the Artificial Neural
Autor:
Omar Deeb, Ramón Garduño-Juárez, Guillermo Ramírez-Galicia, Narelle Montañez-Godínez, Aracely C. Martínez-Olguín
Publikováno v:
Methods in Molecular Biology ISBN: 9781493922383
Quantitative Structure-Activity Relationships (QSARs) and Quantitative Structure-Property Relationships (QSPRs) are mathematical models used to describe and predict a particular activity/property of compounds. On the other hand, the Artificial Neural
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::18525bdd314dab70d5c33c4764399465
https://doi.org/10.1007/978-1-4939-2239-0_19
https://doi.org/10.1007/978-1-4939-2239-0_19