Density Functional Theory Study of the Solvent Effects on Electronic Transition Energies of Porphyrins
We have calculated the solvent effects on the ground state and the lowest triplet state absorption spectra of meso-tetraphenylporphyrin (TPP), meso-tetrakis(p-sulfonatophenyl)porphyrin (TSPP) and their diprotonated forms (H4TPP and H4TSPP) in thirty-nine different solvent using time-dependent-DFT de...
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| Formato: | Capítulo de libro |
| Lenguaje: | inglés |
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IntechOpen
2021
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| Acceso en línea: | https://www.intechopen.com/chapters/78238 |
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