AB-INITIO CALCULATIONS ON THE HYPERFINE ISOTOPE EFFECT BETWEEN C60H AND C60MU

Authors
BOXWELL MA CLAXTON TA COX SFJ
Citation
Ma. Boxwell et al., AB-INITIO CALCULATIONS ON THE HYPERFINE ISOTOPE EFFECT BETWEEN C60H AND C60MU, Journal of the Chemical Society. Faraday transactions, 89(16), 1993, pp. 2957-2960
Citations number
15
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Journal title
Journal of the Chemical Society. Faraday transactions → ACNP
ISSN journal
09565000
Volume
89
Issue
16
Year of publication
1993
Pages
2957 - 2960
Database
ISI
SICI code
0956-5000(1993)89:16<2957:ACOTHI>2.0.ZU;2-5
Abstract
Simplified to three modes of vibration, the potential-energy surface g overning proton and muon motion in the radical C60H and its muonic iso topomer is calculated together with the property surface representing spin density at these particles. Averaged over zero-point motion in th e vibrational ground states, spin density at the muon is predicted to be 6.6% larger than at the proton.