Comment on ab initio calculation of spin densities in hydrocarbon radicals
Journal Article
·
· J. Chem. Phys.; (United States)
An earlier calculation of hydrocarbon radical hyperfine coupling constants, using the spin-projected unrestricted Hartree Fock (PuHF) method is updated. Unprojected uHF calculations are performed for all the systems studied before. (AIP)
- Research Organization:
- Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556
- OSTI ID:
- 5577132
- Journal Information:
- J. Chem. Phys.; (United States), Vol. 78:7
- Country of Publication:
- United States
- Language:
- English
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