Please use this identifier to cite or link to this item:
http://hdl.handle.net/10397/17236
| DC Field | Value | Language |
|---|---|---|
| dc.contributor | Department of Applied Biology and Chemical Technology | - |
| dc.creator | Mok, DKW | - |
| dc.creator | Lee, EPF | - |
| dc.creator | Chau, FT | - |
| dc.creator | Dyke, JM | - |
| dc.date.accessioned | 2015-06-23T09:11:47Z | - |
| dc.date.available | 2015-06-23T09:11:47Z | - |
| dc.identifier.issn | 0021-9606 | - |
| dc.identifier.uri | http://hdl.handle.net/10397/17236 | - |
| dc.language.iso | en | en_US |
| dc.publisher | American Institute of Physics | en_US |
| dc.rights | © 2013 AIP Publishing LLC. | en_US |
| dc.rights | This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in D. K. W. Mok et al., J. Chem. Phys. 139, 014301 (2013) and may be found at https://dx.doi.org/10.1063/1.4811671 | en_US |
| dc.title | Simulated photodetachment spectra of AIH(2)(-) | en_US |
| dc.type | Journal/Magazine Article | en_US |
| dc.identifier.volume | 139 | - |
| dc.identifier.issue | 1 | - |
| dc.identifier.doi | 10.1063/1.4811671 | - |
| dcterms.abstract | We have carried out high-level ab initio calculations on AlH2 and its anion, as well as Franck-Condon factor calculations, which include anharmonicity and Duschinsky rotation, to simulate the photodetachment spectrum of AlH2-, with the aim of assigning the very recently reported photodetachment spectrum of AlH2-[X. Zhang, H. Wang, E. Collins, A. Lim, G. Gantefor, B. Kiran, H. Schnockel, B. Eichhorn, and K. Bowen, J. Chem. Phys. 138, 124303 (2013)]. However, our simulated spectra do not support the assignment of the reported experimental spectrum to AlH2-. | - |
| dcterms.accessRights | open access | en_US |
| dcterms.bibliographicCitation | Journal of chemical physics, 2013, v. 139, no. 1, 14301, p. 014301-1-014301-5 | - |
| dcterms.isPartOf | Journal of chemical physics | - |
| dcterms.issued | 2013 | - |
| dc.identifier.isi | WOS:000321716400013 | - |
| dc.identifier.eissn | 1089-7690 | - |
| dc.identifier.rosgroupid | r66754 | - |
| dc.description.ros | 2012-2013 > Academic research: refereed > Publication in refereed journal | - |
| dc.description.oa | Version of Record | en_US |
| dc.identifier.FolderNumber | OA_IR/PIRA | en_US |
| dc.description.pubStatus | Published | en_US |
| Appears in Collections: | Journal/Magazine Article | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Mok_Simulated_Photodetachment_Spectra.pdf | 709.88 kB | Adobe PDF | View/Open |
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