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Journal of Chemical Physics

Volumn 115, Issue 17, 2001, Pages 8101-8111

Breaking the NO bond on Rh, Pd, and Pd3Mn alloy (100) surfaces: A quantum chemical comparison of reaction paths

(4) Loffreda, D a Delbecq, F a Simon, D a Sautet, P a

a UNIVERSITÉ DE LYON (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; CATALYST ACTIVITY; CHEMICAL REACTIONS; COMPUTER SIMULATION; DISSOCIATION; MOLECULAR VIBRATIONS; PALLADIUM ALLOYS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RHENIUM ALLOYS;

BOND BREAKING -BOND FORMING ENERGETIC DECOMPOSITION; PALLADIUM MANGANESE ALLOYS; QUANTUM CHEMICAL COMPARISON; REACTION PATHS; VIBRATIONAL ANALYSIS;

CHEMICAL BONDS;

EID: 0035505122 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1379578 Document Type: Article

Times cited : (62)

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