A quantum-mechanical/molecular-mechanical calculation method for molecules or molecular aggregates adsorbed on noble metal surfaces

Surface Science

Volumn 514, Issue 1-3, 2002, Pages 303-308

  Okuno, Yoshishige ^a   Mashiko, Shinro ^a  

^a NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY   (Japan)

Author keywords

Clusters; Construction and use of effective interatomic interactions; Metallic surfaces; Physical adsorption

Indexed keywords

ADSORPTION; ELECTROSTATICS; MOLECULAR STRUCTURE; PRECIOUS METALS; QUANTUM THEORY;

INTERATOMIC INTERACTIONS;

SURFACE PHENOMENA;

EID: 0037055582     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(02)01645-X     Document Type: Conference Paper

References (13)