Combining ab initio techniques with analytical potential functions. A study of zeolite-adsorbate interactions for NH3 on H-faujasite

Journal of Molecular Catalysis A: Chemical

Volumn 119, Issue 1-3, 1997, Pages 19-33

  Brändle, Martin ^a   Sauer, Joachim ^a  

^a HUMBOLDT UNIVERSITY   (Germany)

Author keywords

Ab initio method; Ammonia adsorption; Faujasite; Mechanical embedding; Shell model potential

Indexed keywords

EID: 0039831306     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(96)00497-9     Document Type: Article

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