IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liq...

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Veröffentlicht in:	The Journal of chemical physics 2015-07, Vol.143 (1), p.014502-014502
Hauptverfasser:	Ni, Yicun, Skinner, J L
Format:	Artikel
Sprache:	eng
Schlagworte:	COMPARATIVE EVALUATIONS Computer simulation Coupling (molecular) DIPOLES Fluid dynamics HYDROGEN Infrared spectroscopy INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY INTERACTIONS LIQUIDS Molecular dynamics MOLECULAR DYNAMICS METHOD MOLECULES Physical simulation Physics POLARIZABILITY SIMULATION SPECTRA SPECTRAL DENSITY SPECTROSCOPY Spectrum analysis SURFACES VAPORS WATER
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