IR spectral density of H-bonds. Both intrinsic anharmonicity of the fast mode and the H-bond bridge. Part I: Anharmonic coupling parameter and temperature effects

Journal of Molecular Structure: THEOCHEM

Volumn 821, Issue 1-3, 2007, Pages 9-21

  Rekik, Najeh ^a   Issaoui, Noureddine ^a   Ghalla, Houcine ^a   Oujia, Brahim ^a   Wójcik, Marek J ^b  

^a FACULTÉ DES SCIENCES DE MONASTIR   (Tunisia)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

Anharmonicity; Autocorrelation function; Direct relaxation; Hydrogen bonds; Infrared spectral density; Linear response theory; Morse potential; Temperature effects

Indexed keywords

EID: 34848831151     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.06.016     Document Type: Article

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