Single-conformation infrared spectra of model peptides in the amide i and amide II regions: Experiment-based determination of local mode frequencies and inter-mode coupling

Journal of Chemical Physics

Volumn 137, Issue 9, 2012, Pages

  Buchanan, Evan G ^a   James III, William H ^a,d   Choi, Soo Hyuk ^b,e   Guo, Li ^b,f   Gellman, Samuel H ^b   Müller, Christian W ^c   Zwier, Timothy S ^a  

^a PURDUE UNIVERSITY   (United States)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

^c RUHR UNIVERSITY BOCHUM   (Germany)

^d SCHOTT North America   (United States)

^e Yonsei University   (South Korea)

^f DOW CHEMICAL COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDE GROUPS; AMIDE I; C-C BONDS; COUPLING CONSTANTS; DFT CALCULATION; EXPERIMENTAL FREQUENCIES; H-BONDED; H-BONDED RINGS; H-BONDING; H-BONDS; INFRARED INTENSITY; INFRARED SPECTRUM; ION-DIP INFRARED SPECTROSCOPY; ISOLATED MOLECULES; ISOTOPOLOGUES; LOCAL MODE FREQUENCY; MODEL PEPTIDES; NEAREST-NEIGHBORS; POTENTIAL ENERGY DISTRIBUTION;

CONFORMATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; INFRARED SPECTROSCOPY; PEPTIDES;

AMIDES;

AMIDE; OLIGOPEPTIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; PROTEIN SECONDARY STRUCTURE; QUANTUM THEORY;

AMIDES; MODELS, MOLECULAR; OLIGOPEPTIDES; PROTEIN STRUCTURE, SECONDARY; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED;

EID: 84866103527     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4747507     Document Type: Article

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