Assessment of amide i spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

Journal of Chemical Physics

Volumn 140, Issue 22, 2014, Pages

  Carr, J K ^a   Zabuga, A V ^b   Roy, S ^a   Rizzo, T R ^b   Skinner, J L ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ERRORS; EXPERIMENTS; MOLECULAR DYNAMICS; VIBRATIONS (MECHANICAL);

DOUBLE-RESONANCE SPECTROSCOPY; EXPERIMENTAL SPECTRA; MD SIMULATION; MODEL PEPTIDES; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN STRUCTURES; SPECTRAL INTERPRETATION; THEORETICAL SPECTRA;

PEPTIDES;

AMIDE; GAS; PEPTIDE; SOLVENT;

CHEMISTRY; GAS; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTEIN SECONDARY STRUCTURE; THEORETICAL MODEL; VIBRATION;

AMIDES; GASES; HYDROGEN BONDING; MODELS, THEORETICAL; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PROTEIN STRUCTURE, SECONDARY; SOLVENTS; VIBRATION;

EID: 84902488926     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4882059     Document Type: Article

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