Article,

Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes

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The Journal of Physical Chemistry C, 119 (31): 17602--17611 (July 2015)
DOI: 10.1021/acs.jpcc.5b06206

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