Anharmonic Vibrational Signatures of DNA Bases and Watson-Crick Base Pairs

doi:10.1088/1674-0068/22/06/563-570

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	Anharmonic Vibrational Signatures of DNA Bases and Watson-Crick Base Pairs
	Wang, Gui-xiu; Ma, Xiao-yan; Wang, Jian-ping
刊名	CHINESE JOURNAL OF CHEMICAL PHYSICS
	2009-12-27
卷号	22 期号:6 页码:563-570
关键词	Anharmonic Vibration Anharmonicity Coupling Two-dimensional Infrared Spectroscopy Dna Base
ISSN号	1674-0068
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
内容类型	期刊论文
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.