DFT calculation analysis of terahertz time-domain spectra of polyalanines

Journal of Molecular Structure

Volumn 1006, Issue 1-3, 2011, Pages 52-58

  Itoh, Koichi ^a   Ikeda, Atuko ^b   Iwamoto, Toshiyuki ^b   Nishizawa, Seizi ^b  

^a WASEDA UNIVERSITY   (Japan)

^b Advanced Infrared Spectroscopy Co Ltd   (Japan)

Author keywords

Helix; Collective modes; DFT calculation; Far IR spectra; Poly l alanine; THz spectra

Indexed keywords

AVERAGE NUMBERS; BENDING MODES; COLLECTIVE MODES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; DYNAMICAL STRUCTURE; FAR INFRARED; FILM STATE; FREQUENCY LOWERING; HELICAL RODS; HELICAL STRUCTURES; HIGH RELIABILITY; IR SPECTRUM; L-ALANINE; PEPTIDE BONDS; POLY-L-ALANINE; SPECTRAL FEATURE; TERA HERTZ; TERAHERTZ TIME-DOMAIN SPECTROSCOPY; TIME DOMAIN;

AMIDES; AMINO ACIDS; BIOPOLYMERS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; FORMIC ACID; OLIGOMERS; PEPTIDES; TERAHERTZ SPECTROSCOPY;

TIME DOMAIN ANALYSIS;

EID: 82755160916     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.04.046     Document Type: Article

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