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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 | Description | Size | Format | |
|---|---|---|---|---|
 Comparison of a combined quantum.pdf | Published version | 246.83 kB | Adobe PDF | View/Open |
| 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 |
| Authors: | Brandle, M Sauer, J Dovesi, R Harrison, NM |
| Item Type: | Journal Article |
| Content Version: | Published version |
| Issue 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 |