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Chemical and electrochemical study on the interactions of aminoxyls with superoxide anion

✍ Scribed by Patricia Carloni; Elisabetta Damiani; Lucedio Greci; Pierluigi Stipa; Giancarlo Marrosu; Rita Petrucci; Antonio Trazza

Book ID
107857933
Publisher
Elsevier Science
Year
1996
Tongue
French
Weight
442 KB
Volume
52
Category
Article
ISSN
0040-4020

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The interaction between nitrate anion and water has been investigated Ž . by Hartree᎐Fock calculations with the 6-311 q G d, p basis set and by B3LYP density functional calculations with the aug-cc-pVTZ basis set. It is found that the global energy minimum is a planar configuration where both hydrog