Density Functional Study of Tetraphenylporphyrin Long-Range Exciton Coupling
نویسندگان
چکیده
منابع مشابه
Density Functional Study of Tetraphenylporphyrin Long-Range Exciton Coupling
The performance of time-dependent density functional theory (TDDFT) for calculations of long-range exciton circular dichroism (CD) is investigated. Tetraphenylporphyrin (TPP) is used as a representative of a class of strongly absorbing chromophores for which exciton CD with chromophore separations of 50 Å and even beyond has been observed experimentally. A dimer model for TPP is set up to repro...
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ژورنال
عنوان ژورنال: ChemistryOpen
سال: 2012
ISSN: 2191-1363
DOI: 10.1002/open.201200020