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First order calculations of spin densities in ClO2-4 and ClO4

✍ Scribed by J. Oddershede; J. Linderberg


Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
377 KB
Volume
8
Category
Article
ISSN
0009-2614

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✦ Synopsis


A method for calculating induced spin densities is developed, considering only first order terms in the electronic repulsion. Approximate calculations nre performed for the two free radicats ClO2$'and CIQ4. The calculated Fermi contact energies for the 38Cl isotope in ClOT and CfO are -138 MHz and 12.4 MHz which should be compared with the experimental values 187 MHz and 11.7 % IHz by Byberg and


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