Article ID Journal Published Year Pages File Type
5388985 Chemical Physics Letters 2007 4 Pages PDF
Abstract
MP2/aug-cc-pVTZ calculations are used to analyze the interaction between hydrogen molecule and rare gas containing compounds HRgX (Rg = Ar, Kr and X = F, Cl, CN). Stabilities and blue shift of H-Rg stretching frequencies are predicted in studied complexes for the first time.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Ab initio study of complexes pairing HRgX and H2 (Rg = Ar, Kr and X = F, Cl, CN)
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