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XANES and USXES studies of interatomic interactions in (Co41Fe39B20)x(SiO2)1 −xnanocomposites

✍ Scribed by É. P. Domashevskaya; S. A. Storozhilov; S. Yu. Turishchev; V. M. Kashkarov; V. A. Terekhov; O. V. Stogneĭ; Yu. E. Kalinin; A. V. Sitnikov; S. L. Molodtsov

Book ID
111445960
Publisher
SP MAIK Nauka/Interperiodica
Year
2008
Tongue
English
Weight
378 KB
Volume
50
Category
Article
ISSN
1063-7834

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✍ Verónica Barone; Juan E. Peralta; Rubén H. Contreras 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 127 KB

## Abstract In this work a rationalization of the very large substituent effects on ^3^J(C~1~,H~3~) couplings in 1‐X‐bicyclo[1.1.1]pentanes is presented. The Fermi contact contribution to such couplings was calculated in a series of 13 X‐derivatives within the DFT–B3LYP framework using the finite p