Franck–Condon simulation of the photoelectron spectrum of AsCl2 and the photodetachment spectrum of AsCl employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl2
Article first published online: 15 FEB 2011
Copyright © 2011 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 32, Issue 8, pages 1648–1660, June 2011
How to Cite
Mok, D. K. W., Lee, E. P. F., Chau, F.-T. and Dyke, J. M. (2011), Franck–Condon simulation of the photoelectron spectrum of AsCl2 and the photodetachment spectrum of AsCl employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl2. J. Comput. Chem., 32: 1648–1660. doi: 10.1002/jcc.21743
- Issue published online: 7 APR 2011
- Article first published online: 15 FEB 2011
- Manuscript Revised: 8 DEC 2010
- Manuscript Accepted: 8 DEC 2010
- Manuscript Received: 12 OCT 2010
- Research Grant Council (RGC) of the Hong Kong Special Administrative Region (HKSAR). Grant Number: PolyU 5003/09P
- Research Committee of the Hong Kong Polytechnic University of HKSAR. Grant Number: G-YG99
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