Computational modeling of the nitrile stretching vibration of 5-cyanoindole in water

Journal of Physical Chemistry Letters

Volumn 1, Issue 4, 2010, Pages 781-786

  Waegele, Matthias M ^a   Gai, Feng ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

General theory; Molecular structure; Quantum chemistry

Indexed keywords

COMPUTATIONAL MODELING; EMPIRICAL MODEL; GENERAL THEORY; INDOLE RINGS; INFRARED PROBES; MOLECULAR BASIS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANISM; NITRILE GROUPS; SIDE CHAINS; SPECTRAL BROADENING; STRETCHING BANDS; STRETCHING FREQUENCY; STRETCHING VIBRATIONS; VIBRATIONAL BANDS;

HYDRATION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; QUANTUM THEORY; STRETCHING;

CYANIDES;

EID: 77749242731     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz900429z     Document Type: Article

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