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 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。
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