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

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Title: Comparison of a combined quantum mechanics/interatomic potential function approach with its periodic quantum-mechanical limit: Proton siting and ammonia adsorption in zeolite chabazite
Author(s): Brandle, M
Sauer, J
Dovesi, R
Harrison, NM
Item Type: Journal Article
Content Version: Published version
Publication Date: 15-Dec-1998
Citation: J CHEM PHYS Vol.( 109 ) No.( 23 ) pp 10379 - 10389
URI: http://hdl.handle.net/10044/1/604
Publisher Link: http://dx.doi.org/10.1063/1.477693
ISSN: 0021-9606
Start Page: 10379
End Page: 10389
Copyright Statement: © 1998 American Institute of Physics
Volume: 109
Appears in Collections:Computational and Structural Research Group



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