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Theoretical study on the structure and stability of (LiH)6 by the energy gradient method

✍ Scribed by Hiroshi Kato; Kimhiko Hirao; Kazuo Aakagi


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
333 KB
Volume
77
Category
Article
ISSN
0009-2614

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Theoretical study of the peroxy radicals
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We have determined the lowest-energy structures of the RO 2 wR CH -, CH -CH -, CH -CH -CH -, CH -CH -CH -CH -, x CH -CH CH-, and CH CH-CH -peroxy radicals. Further, the self-reaction 3 2 2 of these peroxyls may produce RO R tetroxide adducts, for which the influence of the 4 nature of R on their st