Article ID Journal Published Year Pages File Type
5388903 Chemical Physics Letters 2007 6 Pages PDF
Abstract
The lowest bright states of cyclodieneendoperoxide, leading to 1O2 generation and O-O homolysis, were calculated using TD-DFT, RI-CC2 and CASSCF/MS-CASPT2.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The electronic excited states of a model organic endoperoxide: A comparison of TD-DFT and ab initio methods
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