A study of the attack to one water molecule by either aluminum or cadmium atoms

A. N, J. H

Abstract


A study of the attack to a water molecule by either aluminum or cadmium atoms is accomplished for determining their interaction geometry. The existence of certain number of geometrical zones for repulsion and attraction of Al and Cd atoms when these interact with the water molecule is obtained using Density Functional Theory. Our results clearly show the existence of defined geometries where the interaction is the strongest for chemical bonds formation.

Keywords


Atomic bonding; potential energy curves; density functional theory; metal-molecule interaction

Full Text:

PDF

Refbacks

  • There are currently no refbacks.


Revista Mexicana de Física

ISSN: 2683-2224 (on line), 0035-001X (print)

Bimonthly publication of Sociedad Mexicana de Física, A.C.
Departamento de Física, 2o. Piso, Facultad de Ciencias, UNAM.
Circuito Exterior s/n, Ciudad Universitaria. C. P. 04510 Ciudad de México.
Apartado Postal 70-348, Coyoacán, 04511 Ciudad de México.
Tel/Fax: (52) 55-5622-4946, (52) 55-5622-4840. rmf@ciencias.unam.mx