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Ab initio calculations of isotropic hyperfine coupling constants in β-ketoenolyl radicals

✍ Scribed by Alessandro Fortunelli; Oriano Salvetti


Book ID
113258022
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
330 KB
Volume
287
Category
Article
ISSN
0166-1280

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Ab initio UHF calculations of hyperfine
✍ T.A. Claxton; D. McWilliams; N.A. Smith 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 193 KB

Ab iw?ioUIIF calculations using a minimal basis set of orbitals for the radicals H.-,S, H9S', NHzi, =+, cn3and NH7 predict the h)Terfine coupling constants to all nuclei with a consiCknt rr&urac-lf SCP ato6ic orbital: are used. Recently [l] it has been suggested that there is generally poor agreemen