An AB initio CI study on the possibility of the CO chemisorption on Alkali metal surfaces: Interaction of the CO molecule with a Li atom and with Li5 clusters modelling the chemisorption sites at the (100) surface of the bcc and fcc Li lattice-Reference-Cited by-同舟云学术

An AB initio CI study on the possibility of the CO chemisorption on Alkali metal surfaces: Interaction of the CO molecule with a Li atom and with Li5 clusters modelling the chemisorption sites at the (100) surface of the bcc and fcc Li lattice

Published:1986-01 Issue:1 Volume:165 Page:161-178
ISSN:0039-6028
Container-title:Surface Science
language:en
Short-container-title:Surface Science

Author:

Koutecký J.,Hanke U.,Fantucci P.,Bonačić-Koutecký V.,Papierowska-Kaminski D.

Publisher

Elsevier BV

Subject

Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics

Reference28 articles.

1. The nature of the metal–CO interaction and bonding

2. Generalized valence bond description of the low-lying states of nickel carbonyl (NiCO)

3. The electronic structure of NiCO: A new prediction for the ground state

4. Bonding and backbonding in NiCO: A MCSCF study

5. Molecular Orbital Calculations on the Interaction of PF3 and CO with Ni and Cu Atoms

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