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Photodissociation and Electronic Spectroscopy of Mn(H)(CO) 3 (H-DAB) (DAB = 1,4-Diaza-1,3-butadiene): Quantum Wave Packet Dynamics Based on ab Initio Potentials

โœ Scribed by Guillaumont, Dominique; Daniel, Chantal


Book ID
126165697
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
263 KB
Volume
121
Category
Article
ISSN
0002-7863

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Photodissociation and Electronic Spectro
โœ Isabelle Bruand-Cote; Chantal Daniel ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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