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Calculation of anisotropic hyperfine interaction in radicals with π-electrons

✍ Scribed by G. M. Zhidomirov; P. V. Schastnev

Publisher
SP MAIK Nauka/Interperiodica
Year
1967
Tongue
English
Weight
440 KB
Volume
7
Category
Article
ISSN
0022-4766

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Local spin-density calculations of aniso
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✍ Frank W. Kutzler; C.T. White; Michael Cook 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 537 KB

The isotropic and anisotropic proton hypertine tensors in malonic and glutaconic acid radicals have been calculated from first principles, using the spin-polarized discrete variational Xa method (DVM). The calculated values are found to be in good agreement ( 5 20%) with the results of ESR and ENDOR