Chem. J. Chinese Universities ›› 1986, Vol. 7 ›› Issue (7): 629.
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Wang Jiazhen, Han Zhansheng, Tang Yingwu, Song Xinqi
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Abstract: Aset of experiential parameters was selected for PPPmethod by means of resonance theory of molecular structure.The electronic levels and the lowest excitation energy of triplet state of the organic conjugated molecules,as well as the half-wave potential of some sensitizing dye molecules were evaluated using PPPand CNDO/2 methods.
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Wang Jiazhen, Han Zhansheng, Tang Yingwu, Song Xinqi . Calculation of the Electronic Structure of Organic Conjugated Molecules[J]. Chem. J. Chinese Universities, 1986, 7(7): 629.
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http://www.cjcu.jlu.edu.cn/EN/Y1986/V7/I7/629
