Determining Interactions between Adsorbates on Transition Metals

Journal of Computational Methods in Sciences and Engineering

Volumn 2, Issue 3-4, 2002, Pages 351-359

  Jansen, A P J ^a   Offermans, W K ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Density Functional Theory; Evolutionary Computation; Lateral interactions; Monte Carlo

Indexed keywords

ACTIVATION ENERGY; ADSORBATES; COMPUTATION THEORY; EVOLUTIONARY ALGORITHMS; KINETICS; MONTE CARLO METHODS; RATE CONSTANTS; SURFACE REACTIONS; TRANSITION METALS;

DYNAMIC MONTE CARLO; LATERAL INTERACTIONS; PREFACTORS; REACTIVE SITE; YIELD PREDICTION;

DENSITY FUNCTIONAL THEORY;

EID: 61349168236     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/JCM-2002-23-408     Document Type: Article

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