Acta Phys. -Chim. Sin. ›› 2004, Vol. 20 ›› Issue (09): 1089-1092.doi: 10.3866/PKU.WHXB20040906
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Ren Yan-Liang;Wan Jian;Liu Jun-Jun;Wan Hong-Wen
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Abstract: 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.
Key words: Singlet vertical excited states, TDDFT, INDO/S, ZINDO
Ren Yan-Liang;Wan Jian;Liu Jun-Jun;Wan Hong-Wen. A Theoretical Comparison on Vertical Excited States of Free-Base Porphin[J].Acta Phys. -Chim. Sin., 2004, 20(09): 1089-1092.
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URL: http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB20040906
http://www.whxb.pku.edu.cn/EN/Y2004/V20/I09/1089
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