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Theoretical study of the photodissociation of low lying excited states of hydrogen peroxide

✍ Scribed by Liu, Ya-Jun; Persson, Petter; Lunell *, Sten

Book ID
126869156
Publisher
Taylor and Francis Group
Year
2004
Tongue
English
Weight
202 KB
Volume
102
Category
Article
ISSN
0026-8976

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A theoretical study has been performed on the five lowest excited states of the ozone molecule using multiconfigurational second-order perturbation theory (CASPT2). The predicted order of states is: 3A 2 (T O = 1.15 eV), 3B 2 (T O = 1.33 eV), 3B 1 (T O ---1.33 eV), 1A 2 (T O = 1.44 eV) and 1B 1 (T O