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Catalysis Letters

Volumn 140, Issue 3-4, 2010, Pages 205-211

Nature of CO and NO interactions with Pd-H-ZSM-5 catalyst: A comparative study of DFT-based cluster and ONIOM methods

(2) Kalita, Bulumoni a Deka, Ramesh C a

a TEZPUR UNIVERSITY (India)

Author keywords

CO and NO; DFT; Pd H ZSM 5

Indexed keywords

ADSORBED SPECIES; ADSORPTION ENERGIES; BACK-DONATION; CLUSTER MODELS; CO AND NO; COMPARATIVE STUDIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT; EMBEDDED CLUSTERS; H-ZSM-5; HZSM-5 ZEOLITES; NO MOLECULE; PD ATOMS; VIBRATIONAL FREQUENCIES;

ADSORPTION; DENSITY FUNCTIONAL THEORY;

PALLADIUM;

EID: 78650177694 PISSN: 1011372X EISSN: 1572879X Source Type: Journal
DOI: 10.1007/s10562-010-0439-4 Document Type: Article

Times cited : (15)

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