Nelsen, 1988 - Google Patents
Use of semiempirical AM1 calculations for the prediction of proton electron spin resonance spectraNelsen, 1988
- Document ID
- 10502388025888874198
- Author
- Nelsen S
- Publication year
- Publication venue
- Journal of the Chemical Society, Perkin Transactions 2
External Links
Snippet
For Me nX radicals (X= C˙, N˙, N+˙, O˙, O+˙, or S+˙), propanal cation radical, and biacetyl anion radical, quarter-annihilated hydrogen 1s spin densities obtained by semiempirical AM1-UHF quantum mechanical calculations are successfully converted into esr splitting …
- 238000001362 electron spin resonance spectrum 0 title 1
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