Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Flor Marina Poveda"'
Publikováno v:
Revista Colombiana de Química, Vol 7, Iss 1, Pp 101-104 (2010)
Externí odkaz:
https://doaj.org/article/db184a8928f54df5973c7f3b2d409cbd
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 191:101-112
In this work, an embedding procedure is proposed for parametric methods. An application to modeling a nickel catalyst supported on γ-alumina was carried out by considering a set of point charges and parametric functionals to simulate short- and long
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc56f90bcf85a54f0a0293b97aa66e23
https://doi.org/10.1016/s1381-1169(02)00355-2
https://doi.org/10.1016/s1381-1169(02)00355-2
Autor:
Fernando Ruette, Anibal Sierraalta, Morella Sánchez, Flor Marina Poveda, Eloy Nouel Rodríguez-Arias
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 119:335-348
Quantum chemistry calculations of hydrocarbons components and hydrogen have been carried out using model surface adsorption sites on aggregates and model parametric Hamiltonians. Bader's topological analysis of the charge density in the valence regio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2d73253abe28c5e44228f700bf0175a
https://doi.org/10.1016/s1381-1169(96)00496-7
https://doi.org/10.1016/s1381-1169(96)00496-7
Publikováno v:
Surface Science. 349:241-247
A simple theoretical quantity (diatomic bond energy (DBE)) is proposed for the study of adsorbate-surface interactions and for the assessment of bond formation and bond activation. Significant adsorbate-surface bonding interactions are predicted for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a7f71b6e093cb47a74c224fdd66d94a0
https://doi.org/10.1016/0039-6028(95)01043-2
https://doi.org/10.1016/0039-6028(95)01043-2
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 106:109-118
Calculations for C chemisorption on a finely divided nickel catalyst modeled by Ni5, Ni7 and Ni14 clusters were carried out by using the MINDO SR semiempirical method. Vertical adsorption on several sites in the border and in the center of these clus
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1e581ff60aaefdbf718f6428c0bc6246
https://doi.org/10.1016/1381-1169(95)00246-4
https://doi.org/10.1016/1381-1169(95)00246-4
Publikováno v:
Repositorio UN
Universidad Nacional de Colombia
instacron:Universidad Nacional de Colombia
Revista Colombiana de Química, Vol 7, Iss 1, Pp 101-104 (2010)
Universidad Nacional de Colombia
instacron:Universidad Nacional de Colombia
Revista Colombiana de Química, Vol 7, Iss 1, Pp 101-104 (2010)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::c2f09f213742d0a55a12dd1af43134c5
https://repositorio.unal.edu.co/handle/unal/30039
https://repositorio.unal.edu.co/handle/unal/30039
