Photodissociation and Electronic Spectro
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Isabelle Bruand-Cote; Chantal Daniel
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Article
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2002
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John Wiley and Sons
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English
⚖ 311 KB
The photodissociation dynamics of [Re(H)(CO) 3 (H-dab)] (H-dab 1,4-diaza-1,3-butadiene) were studied by means of wavepacket propagations on CASSCF/MR-CCI potentials calculated for the electronic ground state and low-lying excited states as a function of two coordinates, q a and q b , that correspond