Modeling of the Vertical Excitation Energies in the Structural Isomers of Pyridinoporphyrazines and Their Structural Analogues Using TDDFT, PCM-TDDFT, ZINDO/S, and PM3 Methods
Modeling of the Vertical Excitation Energies in the Structural Isomers of Pyridinoporphyrazines and Their Structural Analogues Using TDDFT, PCM-TDDFT, ZINDO/S, and PM3 Methods
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使用 TDDFT、PCM-TDDFT、ZINDO/S 和 PM3 方法对吡啶并紫菜嗪结构异构体及其结构类似物的垂直激发能进行建模
DOI:
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发表时间:
2006
期刊:
影响因子:
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通讯作者:
V.N.Nemykin
中科院分区:
文献类型:
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作者:
植木保昭;ら;S.U. Lee;V.N. Nemykin;V.N.Nemykin