Anharmonic Vibrational Signatures of DNA Bases and Watson-Crick Base Pairs
文献类型：期刊论文
| 作者 | Wang, Gui-xiu; Ma, Xiao-yan; Wang, Jian-ping |
| 刊名 | CHINESE JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2009-12-27 |
| 卷号 | 22期号:6页码:563-570 |
| ISSN号 | 1674-0068 |
| 关键词 | Anharmonic Vibration Anharmonicity Coupling Two-dimensional Infrared Spectroscopy Dna Base |
| DOI | 10.1088/1674-0068/22/06/563-570 |
| 英文摘要 | Changes of molecular structure and associated charge distributions, and changes of anharmonic vibrational parameters from DNA base monomers to the Watson-Crick base pairs, have been investigated at the density functional theory level. Through examination of the NH(2), N-H, and C=O stretching vibrational modes that are involved in the multiple H-bonds in the base pairs, sensitivity of their diagonal and off-diagonal anharmonicities, as well as anharmonic vibrational couplings, to the structure change are predicted. Our results reveal the intrinsic connection between the anharmonic vibrational potentials, H-bonding, and electrostatic interactions in DNA bases. |
| 语种 | 英语 |
| 出版者 | CHINESE PHYSICAL SOC |
| WOS记录号 | WOS:000273466600003 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/66297]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Wang, Jian-ping |
| 作者单位 | Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Gui-xiu,Ma, Xiao-yan,Wang, Jian-ping. Anharmonic Vibrational Signatures of DNA Bases and Watson-Crick Base Pairs[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2009,22(6):563-570. |
| APA | Wang, Gui-xiu,Ma, Xiao-yan,&Wang, Jian-ping.(2009).Anharmonic Vibrational Signatures of DNA Bases and Watson-Crick Base Pairs.CHINESE JOURNAL OF CHEMICAL PHYSICS,22(6),563-570. |
| MLA | Wang, Gui-xiu,et al."Anharmonic Vibrational Signatures of DNA Bases and Watson-Crick Base Pairs".CHINESE JOURNAL OF CHEMICAL PHYSICS 22.6(2009):563-570. |
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来源：化学研究所
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