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Appendix 9


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Molecular orbitals of triphenylamine 1 and its derivatives 2 and 3, calculated respectively in gas phase, with water and DMF implicit solvation with the TDDFT method, using the CAM-B3LYP functional and the basis set 6-31G(d,p) after an optimization of the geometry of the molecules in each environment at CAM-B3LYP/6-31G(d,p) level.

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