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Volumn 116, Issue 9, 2002, Pages 3841-3855

Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H2 + Pt(111) and H2 + Cu(100)

(6) Olsen, R A a Busnengo, H F b Salin, A b Somers, M F c Kroes, G J c Baerends, E J a

a VU UNIVERSITY AMSTERDAM (Netherlands)

b UNIVERSITÉ DE BORDEAUX (France)

c LEIDEN UNIVERSITY (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; COPPER; DEGREES OF FREEDOM (MECHANICS); ELECTRONIC STRUCTURE; ERROR ANALYSIS; GAS ADSORPTION; HYDROGEN; INTERPOLATION; MOLECULAR DYNAMICS; PLATINUM; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; REDUCTION; SURFACE REACTIONS;

DIATOMIC MOLECCULES; POTENTIAL ENERGY SURFACES (PES);

SURFACE STRUCTURE;

EID: 0036492089 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1446852 Document Type: Article

Times cited : (137)

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