Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5394748 | Computational and Theoretical Chemistry | 2012 | 11 Pages |
Abstract
⺠The computed SOC values are strong for the MECP. ⺠Intersystem crossing takes place with a large probability. ⺠The reactions are typical “two-state reactivity” (TSR) reaction. ⺠One transition state or intermediate does not determine the kinetics. ⺠TDTS (TOF-determining transition state) and the TDI (TOF-determining intermediate) are not adjacent.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Xiang Xu, Yi Li, Baohan Qu, Lin Du,