Ab initio calculations on the hyperfine isotope effect between C60H and C60Mu
Abstract
Simplified to three modes of vibration, the potential-energy surface governing proton and muon motion in the radical C60H and its muonic isotopomer is calculated together with the property surface representing spin density at these particles. Averaged over zero-point motion in the vibrational ground states, spin density at the muon is predicted to be 6.6% larger than at the proton.
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