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Amide Vibrations and Their Conformational Dependences in beta-Peptide
Zhao, Juan; Wang, Jianping
2010-12-09
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
ISSN1520-6106
Volume114Issue:48Pages:16011-16019
AbstractThe characteristics of the amide-A and amide-I modes in a beta-homoalanine dipeptide (beta-HADP) have been examined as a function of backbone dihedral angles The harmonic frequencies were obtained using the density functional theory The anharmonic frequencies and diagonal anharmonicities were obtained by using the Morse potential Local-mode frequencies and intermode couplings were obtained using the computed normal-mode frequencies and eigenvectors It was found that the vibrational frequencies for the two types of amide modes are both conformational-dependent The inter-amide-A and inter-amide-I couplings in the beta-peptides were predicted to be generally weaker than those in the alpha-peptides Structural bases of the amide-A and amide-I local modes in the beta-peptides are discussed
DOI10.1021/jp108324p
Indexed BySCI
Language英语
WOS IDWOS:000284738800034
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:11[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/71244
Collection中国科学院化学研究所
Corresponding AuthorWang, Jianping
AffiliationChinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Zhao, Juan,Wang, Jianping. Amide Vibrations and Their Conformational Dependences in beta-Peptide[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2010,114(48):16011-16019.
APA Zhao, Juan,&Wang, Jianping.(2010).Amide Vibrations and Their Conformational Dependences in beta-Peptide.JOURNAL OF PHYSICAL CHEMISTRY B,114(48),16011-16019.
MLA Zhao, Juan,et al."Amide Vibrations and Their Conformational Dependences in beta-Peptide".JOURNAL OF PHYSICAL CHEMISTRY B 114.48(2010):16011-16019.
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