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The shift in the harmonic vibrational frequency of the He–H stretch of FHeH on formation of the linear FHeH⋯Rg complexes (Rg=He, Ne, Ar, Kr) was determined by ab initio computations. These shifts are in agreement with predictions from a model based on perturbation theory and involving the first and second derivative of the interaction energy with respect to displacement of the He–H bond length from...
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