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Crystal orbital studies of chemisorption: the adsorption of molecular hydrogen on beryllium

โœ Scribed by Richard Lavery; Ian H. Hillier


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
444 KB
Volume
16
Category
Article
ISSN
0301-0104

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The aim of this paper is to contribute to the mathematical description of chemisorption by using the Green matrix formalism to treat the adsorption of a hydrogen molecule on a monolayer of beryllium. This is done at a rigorous ab initio HF SCF level with correlation corrections of the Be surface, a