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Replication Data for: Fully Polarizable QM/Fluctuating Charge Approach to Two...
This dataset contains raw input and output files for the LSDALTON calculations reported in "Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous... -
Azaacene Diradicals Based on Non-Kekulé Meta-Quinodimethane with Large Two-Ph...
Non-Kekulé quinoidal azaacences m-A (1a,b) were synthesized and compared to their para- and ortho-quinodimethane analogues. m-A display high diradical characters (1b: y0 = 0.88)... -
Azaacene Diradicals Based on Non-Kekulé Meta-Quinodimethane with Large Two-Ph...
Non-Kekulé quinoidal azaacences m-A (1a,b) were synthesized and compared to their para- and ortho-quinodimethane analogues. m-A display high diradical characters (1b: y0 = 0.88)...
