Ab initio unrestricted Hartree–Fock calculations. Part 9.–Hyperfine coupling constants in the ethyl radical
- 1 January 1974
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 70, 1005-1009
- https://doi.org/10.1039/f29747001005
Abstract
Calculated values for the anisotropic hyperfine coupling tensors for the ethyl radical by the ab initio UHF method with spin annihilation are in good agreement with experiment. The results are critically compared with those from semi-empirical calculations.Keywords
This publication has 0 references indexed in Scilit: