The argon matrix-induced frequency shift of νs(F-H) of the F-H···A complexes: Comparison between computation and experiment

Journal of Molecular Structure: THEOCHEM

Volumn 817, Issue 1-3, 2007, Pages 147-152

  Liu, Guoqun ^a   Zhang, Xianxi ^b  

^a ZHONGYUAN UNIVERSITY OF TECHNOLOGY   (China)

^b LIAOCHENG UNIVERSITY   (China)

Author keywords

B3LYP and MP2 calculations; Hydrogen fluoride; Hydrogen bonded complexes; Matrix effect; Polarizable continuum model with integral equation formalism (IEF PCM)

Indexed keywords

EID: 34547667008     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.04.034     Document Type: Article

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