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Ab initio MO LCAO UHF calculations of the stability in dimeric ethylene radical ions

✍ Scribed by Jan Almlöf; Anders Lund; Karl-Åke Thuomas

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 253 KB
Volume: 32
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(75)85198-0

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✦ Synopsis

The stability bf ekylene bimer ions has been con&ted by ab i&o methods. The positively charged dime1 is stable (O-6-0.7 cv) while&c ncuual and the negatively charged dimers are un&atIe with respect to dccomp+ion into monomers The magnetic hyperfinn coupl& cciistantslwe & been ev&&d. JlyperLe spllttkp~ =C 'H -XL (-12.8)

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