Modeling the vibrational dynamics and nonlinear infrared spectra of coupled amide i and II modes in peptides

Journal of Physical Chemistry B

Volumn 115, Issue 18, 2011, Pages 5392-5401

  Dijkstra, Arend G ^a,b   Jansen, Thomas La Cour ^a   Knoester, Jasper ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; CALCULATIONS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; PEPTIDES; RELAXATION OSCILLATORS; SPECTROSCOPY; STRUCTURAL DYNAMICS;

AMIDE I; COHERENT COUPLING; COHERENT TRANSPORTS; DETAILED MODELS; DIPEPTIDE; DYNAMIC PROPERTY; ENERGY TRANSPORT; FIRST-PRINCIPLES CALCULATION; INFRARED SPECTRUM; LOCAL VIBRATIONS; MOLECULAR DYNAMICS SIMULATIONS; MUTUAL COUPLING; NONLINEAR SPECTRUM; OSCILLATOR STRENGTHS; PARTIALLY COHERENT; SPECTRAL MARKERS; TIME-SCALES; VIBRATIONAL DYNAMICS; VIBRATIONAL ENERGIES; VIBRATIONAL MODES;

VIBRATIONS (MECHANICAL);

EID: 79958202775     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp109431a     Document Type: Article

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