A Theoretical And Experimental Nmr Study Of Bodipy 493/503: Difluoro{2-[1-(3,5-Dimethyl-2h-Pyrrol-2-Ylidene-N)Ethyl]-3,5-Dimethyl-1h -Pyrrolato-N}Boron

MAGNETIC RESONANCE IN CHEMISTRY(2016)

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摘要
This work was carried out with financial support from the Ministeriode Economia y Competitividad (Project Nos. CTQ2014-56833-R andCTQ2015-63997-C2-2-P) and Comunidad Autonoma de Madrid(Project FOTOCARBON, ref. S2013/MIT-2841). Computer, storageand other resources from the CTI (CSIC) are gratefullyacknowledged.
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关键词
BODIPY,B3LYP,CASTEP,CPMAS
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