Reactivity of diatomic molecules on Cu(100)

Surface Science

Volumn 417, Issue 2-3, 1998, Pages 247-260

  Van Daelen, M A ^a   Neurock, M ^b   Van Santen, R A ^c  

^a ACCELRYS INC   (United States)

^b University of Virginia   (United States)

^c EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Copper surfaces; Density functional theory; Metal catalysis; Reaction rates; Transition states

Indexed keywords

ATOMS; CARBON MONOXIDE; CATALYSIS; CHEMICAL BONDS; DISSOCIATION; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; MOLECULES; NITROGEN OXIDES; PROBABILITY DENSITY FUNCTION; SURFACES;

DIATOMIC MOLECULE; REACTION RATES; RECOMBINATION; SURFACE REACTIVITY; TRANSITION STATE THEORY;

COPPER;

EID: 0032205241     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(98)00640-2     Document Type: Article

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