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Stabilities and structures of the Li-CO2 and Na-CO2 complexes

✍ Scribed by Y. Yoshioka; K.D. Jordan

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 524 KB
Volume: 84
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)80366-1

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✦ Synopsis

The geometricsand stabiliticsof the Li-CO2 and Na--CO? tomplcxes arc calculated using the self-consistent-field Hartree-Fock method. The minimum energy, Czv strutures of G-CO2 ;Ind Nil-CO2 are found to bc stnblc, by 0.85 and 0.34 cV, respectively, with rcspcct to dissociation to CO2 + alkali atom.

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