Vibrational spectra from atomic fluctuations in dynamics simulations. II. Solvent-induced frequency fluctuations at femtosecond time resolution

Journal of Chemical Physics

Volumn 121, Issue 24, 2004, Pages 12247-12258

  Schmitz, Matthias ^a   Tavan, Paul ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CORRELATION METHODS; FORMALDEHYDE; FREQUENCIES; HARMONIC ANALYSIS; INFRARED SPECTROSCOPY; LASER PULSES; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SOLVENTS; VIBRATION MEASUREMENT; WATER;

ATOMIC FLUCTUATIONS; DENSITY FUNCTIONAL THEORY (DFT); DYNAMIC SIMULATIONS; VIBRATIONAL SPECTRA;

ATOMS;

EID: 22944442956     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1822915     Document Type: Article

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