Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/17236
Title: Simulated photodetachment spectra of AIH(2)(-)
Authors: Mok, DKW 
Lee, EPF
Chau, FT
Dyke, JM
Issue Date: 2013
Publisher: American Institute of Physics
Source: Journal of chemical physics, 2013, v. 139, no. 1, e5415 How to cite?
Journal: Journal of chemical physics 
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-.
URI: http://hdl.handle.net/10397/17236
ISSN: 0021-9606
EISSN: 1089-7690
DOI: 10.1063/1.4811671
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