Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: A TD-DFT quantum mechanical study

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作者
Improta, Roberto
Barone, Vincenzo
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[1] Dipartimento di Chimica, Universit Federico II, Complesso Univ. Monte S. Angelo, Via Cintia, I-80126 Napoli, Italy
[2] Ist. di Biostrutture e Bioimmagini, CNR, Via Mezzocannone 6, I-80I34 Napoli, Italy
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27
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页码:14320 / 14321
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