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Catalysis Letters

Volumn 142, Issue 9, 2012, Pages 1057-1060

Modeling van der Waals interactions in zeolites with periodic DFT: Physisorption of n-Alkanes in ZSM-22

(3) Brogaard, Rasmus Y a Moses, Poul G a,c Nørskov, Jens K a,b

a Stanford University (United States)

b SLAC NATIONAL ACCELERATOR LABORATORY (United States)

c HALDOR TOPSØE A S (Denmark)

Author keywords

Adsorption; Alkanes; DFT; Heterogeneous catalysis; Hydrocarbons; Zeolites

Indexed keywords

CONFINEMENT EFFECTS; DFT; EXPERIMENTAL DATA; N-ALKANES; PERIODIC DENSITY FUNCTIONAL THEORY; PERIODIC DFT; PHYSISORPTION ENERGY; SINGLE LEVEL; VAN DER WAALS INTERACTIONS;

ADSORPTION; CATALYSIS; DENSITY FUNCTIONAL THEORY; HYDROCARBONS; PHYSISORPTION; VAN DER WAALS FORCES; ZEOLITES;

PARAFFINS;

EID: 84865219409 PISSN: 1011372X EISSN: 1572879X Source Type: Journal
DOI: 10.1007/s10562-012-0870-9 Document Type: Article

Times cited : (61)

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