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Numrering	Referens	Omslagsbild	Hitta
1.	Liu, Ya-Jun, et al. (författare) Spin-orbit ab initio investigation of the photolysis of bromoiodomethane 2006 Ingår i: ChemPhysChem. - : Wiley. - 1439-7641 .- 1439-4235. ; 7:4, s. 955-963 Tidskriftsartikel (refereegranskat)abstract The photodissociation of bromoiodomethane has been investigated by spin-orbit ab initio calculations. The experimentally observed A- and B-bands and the corresponding photoproducts were assigned by multistate second-order multiconfigurationol perturbation theory in conjunction with spin-orbit interaction through complete active space state interaction potential energy curves, vertical excitation energies, and oscillator strengths of low-lying excited states. The present conclusions with respect to the dissociation process in the B-band are different compared with those of previous studies. The reaction between the iso-CH2,Br-I and iso-CH2I-Br species has also been studied. Finally, a set of stable excited states was identified for both isomers. These species might be of importance in the recombination process that follows the photodissociotion in a solvent.

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