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Anharmonic Vibrational Signatures of DNA Bases and Watson-Crick Base Pairs
Wang, Gui-xiu; Ma, Xiao-yan; Wang, Jian-ping
关键词Anharmonic Vibration Anharmonicity Coupling Two-dimensional Infrared Spectroscopy Dna Base
刊名CHINESE JOURNAL OF CHEMICAL PHYSICS
2009-12-27
DOI10.1088/1674-0068/22/06/563-570
22期:6页:563-570
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]2-DIMENSIONAL INFRARED-SPECTROSCOPY ; EXPERIMENTAL-MATRIX-ISOLATION ; DENSITY-FUNCTIONAL THEORY ; MOLECULAR-INTERACTIONS ; NUCLEOBASES GUANINE ; HYDROGEN-BOND ; IR ; PEPTIDES ; CYTOSINE ; SPECTRA
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
WOS记录号WOS:000273466600003
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/141328
专题中国科学院大连化学物理研究所
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
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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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