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Citation: Ren Yan-Liang, Wan Jian, Liu Jun-Jun, Wan Hong-Wen. A Theoretical Comparison on Vertical Excited States of Free-Base Porphin[J]. Acta Physico-Chimica Sinica, ;2004, 20(09): 1089-1092. doi: 10.3866/PKU.WHXB20040906 shu

A Theoretical Comparison on Vertical Excited States of Free-Base Porphin

1.
College of Chemistry, Central China Normal University, Wuhan　430079

Received Date: 29 February 2004
Available Online: 15 September 2004

The singlet vertical excited states of free-base porphin (FBP) have been investigated by TDDFT, ZINDO and INDO/S. The results show that both ZINDO and INDO/S could be effectively applied to the calculation of the low-lying excited states of large biological chromophores.
- Singlet vertical excited states;TDDFT;INDO/S;ZINDO
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