Is the LEPS potential accurate enough to investigate the dissociation of diatomic molecules on surfaces?

Chemical Physics Letters

Volumn 471, Issue 1-3, 2009, Pages 136-142

  Martin Gondre, L ^a   Crespos, C ^a   Larregaray, P ^a   Rayez, J C ^a   van Ootegem, B ^b   Conte, D ^b  

^a INSTITUT DES SCIENCES MOLÉCULAIRES   (France)

^b AIRBUS DEFENCE AND SPACE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; MOLECULES; PERIODIC STRUCTURES; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

CHANNEL BARRIER; DIATOMIC MOLECULES; DISSOCIATIVE ADSORPTION; DYNAMICS SIMULATION; EXTENDED VERSIONS; GAUSSIAN FUNCTIONS; INTRICATE STRUCTURES; SURFACE INTERACTIONS;

SURFACE REACTIONS;

EID: 61649126682     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.01.046     Document Type: Article

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