A theoretical study of photodissociation of 1- bromoacetyl bromide (CH2BrCOBr) at 248nm, and the Franck – Condon simulated absorption and emission spectra of Zinc (II) Salen complexes
碩士 === 國立東華大學 === 化學系 === 101 === 1. In this thesis, we predict the dissociation paths of CH2BrCOBr at 248nm on adiabatic ground-state potential energy surface with B3LYP/cc-pVTZ calculations, the optimized geometries and harmonic frequencies for reactant, intermediates, transition states, and disso...
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| Format: | Others |
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2012
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| Online Access: | http://ndltd.ncl.edu.tw/handle/98268457125731503268 |