Comparison of a combined quantum mechanics/interatomic potential function approach with its periodic quantum-mechanical limit: Proton siting and ammonia adsorption in zeolite chabazite
File(s)Comparison of a combined quantum.pdf (246.83 KB)
Published version
Author(s)
Brandle, M
Sauer, J
Dovesi, R
Harrison, NM
Type
Journal Article
Version
Published version
Date Issued
1998-12-15
Citation
J CHEM PHYS Vol.( 109 ) No.( 23 ) pp 10379 - 10389
ISSN
0021-9606
Start Page
10379
End Page
10389
Copyright Statement
© 1998 American Institute of Physics
Source Volume Number
109