| Electronic Structures and Spectra of the Bases and Base Pairs of Nucleic Acids |
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| 作者单位： | Institute of Theoretical Chemistry，Jilin University，Changchun，130023 |
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| 摘 要： | The present paper covers electronic structures and spectra of the bases and the base pairs of nucleic acids calculated by using the INDO/S method. For free bases we give the energy levels of ground states and transition energies of low-lying excited states and discuss the band characters. The results indicate that the calculated spectra are in good agreement with experimental values. On the other hand, our calculations for A-T and G-C pairs are very beneficial to understanding hydrogen bond properties of these pairs.
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Electronic Structures and Spectra of the Bases and Base Pairs of Nucleic Acids |
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| WANG Zhi-zhong and BAI Ya-wen. Electronic Structures and Spectra of the Bases and Base Pairs of Nucleic Acids[J]. Chemical Research in Chinese University, 1992, 0(2) |
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| Authors: | WANG Zhi-zhong and BAI Ya-wen |
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| Abstract: | The present paper covers electronic structures and spectra of the bases and the base pairs of nucleic acids calculated by using the INDO/S method. For free bases we give the energy levels of ground states and transition energies of low-lying excited states and discuss the band characters. The results indicate that the calculated spectra are in good agreement with experimental values. On the other hand, our calculations for A-T and G-C pairs are very beneficial to understanding hydrogen bond properties of these pairs. |
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| Keywords: | Bases and base pairs of nucleic acid Electronic structures and spectra INDO/S |
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