以上来源于: WordNet
The singlet vertical excited states of free-base porphin(FBP)have been investigated by TDDFT, ZINDO and INDO /S.
运用TDDFT、ZINDO、INDO/S三种量子化学理论方法，对卟吩的单线垂直激发态进行了理论计算与归属研究。
The electronic spectrum and the third order nonlinear polarizability of this supramolecule were examined by ZINDO SOS method.
用ZINDO SOS方法对分子的电子光谱，三阶非线性极化率进行了计算。
In order to investigate the effect of substituents on the two-photon absorption properties(TPA), the one-and two-photon absorption properties were theoretically studied by using ZINDO/SOS method.
利用ZINDO/SOS方法，从理论上研究了对称和不对称取代两种情况下，取代基对二噻吩并噻吩衍生物单双光子吸收性质的影响。
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