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Can I read Towards the truly nonempirical computation of hyperfine interactions: A contribution to the debate on the t-butyl radical on EtoBox?
Towards the truly nonempirical computation of hyperfine interactions: A contribution to the debate on the t-butyl radical by Richard E. Overill is a Chemistry article available to read on EtoBox.
What is Towards the truly nonempirical computation of hyperfine interactions: A contribution to the debate on the t-butyl radical about?
Carefully calibrated large-scale nonempirical CI computations have been performed for the isotropic hyperfiie splittings of the t-butyl radical. The results have been used to interpret the effects of out-of-plane vibration of the radical center, with and without coupling to methyl rotations, on the observed splitting at the radical center. In particular, the value computed under rotation-inversion is 39 G, in good agreement with the ESR result of 45 G.
Who reads Towards the truly nonempirical computation of hyperfine interactions: A contribution to the debate on the t-butyl radical?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Richard E. Overill
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0192-8651)
- Published
- 1991
- Language
- EN
- Field
- Chemistry (Physical Sciences)