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28
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85197328408
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note
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Structure optimisation of the oxonol anion geometry was performed by a MNDO calculation using the program AMSOL with AM 1 parameters. The determination of the excited states (only singlet states) was carried out by a PPP (Pariser-Parr-Pople) calculation using the program WPSIN, based on a π Self Consistant Field method. We are grateful to Dr. H.-U. Wagner, LMU München, for carrying out the calculations and for helpful discussions.
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