CNDO MO calculations for hydrogen atoms adsorbed on clusters of nickel atoms

1 January 1973

journal article
research article
Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications

No. 17,p. 625-626
https://doi.org/10.1039/c39730000625

Abstract

CNDO MO calculations for the interaction of a hydrogen atom with a cluster of nickel atoms indicates that the bonding involves mainly the nickel s and p orbitals, and that the most stable position for a hydrogen atom is over a surface hole.

Keywords

MO CALCULATIONS
CNDO MO
HYDROGEN ATOM
BONDING
HOLE
ATOMS ADSORBED