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Physica A: Statistical Mechanics and its Applications
Self-consistent Hartree-Fock calculations on a linear NiCO cluster have been used to analyze and interpret the experimental relative binding energy shifts of CO upon adsorption on a Ni surface. Chemical shifts due to the changed environment of the adsorbed molecule are found to contribute significantly to the initial state shifts of nonbonding levels. The final state or relaxation shifts are quite different among groups of levels; bonding, valence non-binding, and core. © 1976.
J.R. Thompson, Yang Ren Sun, et al.
Physica A: Statistical Mechanics and its Applications
Ranulfo Allen, John Baglin, et al.
J. Photopolym. Sci. Tech.
Michael Ray, Yves C. Martin
Proceedings of SPIE - The International Society for Optical Engineering
T. Schneider, E. Stoll
Physical Review B