The effects of core (3d) correlation on chemisorption
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.458632
Reference17 articles.
1. Cu 3d covalency in chemisorption?
2. Ab initio study of the ground state surface of Cu3
3. Model studies of the chemisorption of hydrogen and oxygen on Cu(100)
4. Model studies of the chemisorption of hydrogen and oxygen on nickel surfaces. I. The design of a one-electron effective core potential which includes 3d relaxation effects
5. Treatment of intershell correlation effects inabinitiocalculations by use of core polarization potentials. Method and application to alkali and alkaline earth atoms
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1. MO and DFT approaches to the calculation of X-ray absorption/emission spectra of nitrogen atom adsorbed on Cu(100);Surface Science;1998-02
2. DFT and MO calculations of atomic and molecular chemisorption energies on surface cluster models;Theoretica Chimica Acta;1996-11
3. Chemisorption of hydrogen and oxygen atoms on a cobalt surface: A quantum chemical cluster model study;International Journal of Quantum Chemistry;1996-01-05
4. Theoretical study of the electronic states of MgC;Chemical Physics Letters;1993-12
5. Franck–Condon factors for photodetachment from LiO−, NaO−, and KO−;The Journal of Chemical Physics;1993-09
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