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Ab initio studies of complexes of ozone with some positive ions

✍ Scribed by G. Snyder; D. Sapse

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 370 KB
Volume: 218
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)e1497-5

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✦ Synopsis

Ab initio calculations using the 6-3 1 G' and the 6-3 11 G' basis sets are performed on HeO: , LiO: and N20$ complexes. In the HeO: and N20: complexes the positive charge is on the oxygen and the complexes are not bound with respect to dissociation into He or Nz and 0:. In the LiO: complex the positive charge is on lithium and the complex is strongly bound with respect to the Li+ and Oj.

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