Comparison of a combined quantum mechanics/interatomic potential function approach with its periodic quantum-mechanical limit: Proton siting and ammonia adsorption in zeolite chabazite

Journal of Chemical Physics

Volumn 109, Issue 23, 1998, Pages 10379-10389

  Brändle, Martin ^a   Sauer, Joachim ^a   Dovesi, Roberto ^b   Harrison, Nicholas M ^c  

^a HUMBOLDT UNIVERSITY   (Germany)

^b UNIVERSITY OF TURIN   (Italy)

^c DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000604132     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477693     Document Type: Article

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