Analytical Morse/Long-Rang Model Potential and Predicted Infrared and Microwave Spectra for Symmetry

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  A four-dimensional, analytic potential energy surfaces (PES) for CH3F-He that explicitly incorporates its dependence on the Q3 C-F stretch normal-mode coordinate of the CH3F monomer have been obtained by least-squares fitting new ab initio interaction energies to a new four-dimensional Morse/Long-Range1,2 (4D-MLR)
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