INVESTIGADORES
COMELLI Nieves Carolina
artículos
Título:
Theoretical study of the adsorption of C5Hn (nZ5,8,10) on Ni(100) and Ni(111) surfaces
Autor/es:
N. C. COMELLI; M. B. LOPEZ; E. A. CASTRO
Revista:
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2005 vol. 726 p. 197 - 204
ISSN:
0166-1280
Resumen:
ASED-MO method is applied to study the adsorption of cyclopentane, cyclopentene and cyclopendienile anion on Ni(100)25 and Ni(111)25 surfaces. Results show an increasing of the molecule?surface interaction the larger is the non-saturation degree of the cyclic structures and a greater stability degree on the (100) surface with respect to the (111) surface.
