๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Evaluation of MNDO approximation in quantum-chemical calculations of anisotropic hyperfine coupling tensors in free radicals

โœ Scribed by N. D. Chuvylkin; A. M. Tokmachev


Publisher
Springer
Year
1999
Tongue
English
Weight
467 KB
Volume
48
Category
Article
ISSN
1573-9171

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Local spin-density calculations of aniso
โœ Frank W. Kutzler; C.T. White; Michael Cook ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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