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Calculation of hyperfine coupling constants of muonated radicals

✍ Scribed by Alexandre Lopes de Magalhães; Maria João Ramos


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
405 KB
Volume
165
Category
Article
ISSN
0009-2614

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Isotropic hypefine coupling constants for the radicals BH2, CH? , NH2, OH:, BHr , CH,, NH:, H\*CN, HzCO+ and CH&H are calculated using density-functional theory with a gradient-corrected local-spin-density approximation and a Slater-type-orbital basis set. The agreement between the calculated and ob