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Chemisorption bonding and catalysis
Author(s) -
Danese J. B.,
Schrieffer J. R.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560100832
Subject(s) - chemisorption , linear combination of atomic orbitals , catalysis , surface (topology) , scattering , function (biology) , chemistry , chemical physics , materials science , computational chemistry , nanotechnology , physics , density functional theory , quantum mechanics , mathematics , geometry , organic chemistry , basis set , evolutionary biology , biology
The general features of the LCAO‐MO, Green's function, and multiple‐scattering X α methods and their applications to surfaces and surface‐related problems are discussed. Emphasis is placed on the localization of bonding in surface complexes.