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Journal of Chemical Physics

Volumn 114, Issue 14, 2001, Pages 6327-6334

Adsorption of linear hydrocarbons in zeolites: A density-functional investigation

(5) Benco, Lubomir a Demuth, Thomas a Hafner, Jürgen a Hutschka, François b Toulhoat, Herve c

a UNIVERSITY OF VIENNA (Austria)

b TOTAL (France)

c IFP ENERGIES NOUVELLES (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BINDING ENERGY; ELECTRONIC DENSITY OF STATES; HYDROGEN; HYDROGEN BONDS; METHANE; MOLECULAR STRUCTURE; MOLECULES; OXYGEN; PROBABILITY DENSITY FUNCTION; PROTONS; ZEOLITES;

CHEMICAL SHIFTS; CONCENTRATION OF ACID SITE; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY; GENERALIZED GRADIENT APPROACHES; HYDROCARBON LENGTH; LINEAR HYDROCARBONS;

HYDROCARBONS;

EID: 0035826469 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1355769 Document Type: Article

Times cited : (36)

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