Article ID Journal Published Year Pages File Type
5383266 Chemical Physics Letters 2012 5 Pages PDF
Abstract
► Origin of ultrafast intersystem crossing in a chromium complex, CrIII (acac)3. ► Ab initio quantum chemistry and excited-state wavepacket dynamics. Potential energy surfaces of excited states and spin-orbit couplings. ► Duschinsky analysis of Jahn-Teller distortion. ► Potential crossings in the Franck-Condon region cause ultrafast intersystem crossing.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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