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Kiera M. Jones, Jadwiga A. Milkiewicz, Prof. Benjamin J. Whitaker, Dr. Alan G. Sage and Dr. Graham A. Worth Photodissociation of ClNO in the 2 1A′ State: Computational and Experimental NO Product State Distributions ChemPhysChem 14

Article first published online: 7 MAR 2013 | DOI: 10.1002/cphc.201200999

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Ultrafast photodissociation of the 2 1A′ state of ClNO is studied by computational and experimental methods. New potential-energy surfaces are calculated for the 1 and 2 1A′ states at the multireference configuration interaction level. Wavepacket dynamics simulations (see picture) and 3D REMPI spectra yield very similar NO product state distributions.

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