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Theoretical study of ScCO2+

✍ Scribed by Mariona Sodupe; Vicenç Branchadell; Antonio Oliva; Juan Bertran

Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
165 KB
Volume
63
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

✦ Synopsis

The structure, binding energy, and vibrational frequencies have been determined for ScCO q . The inserted OSc q CO structure in the 1 AЈ state is the most stable 2 isomer and lies 43.2 kcalrmol below the ground-state Sc q q CO asymptote. The linear 2 1 -O Sc q -OCO 3 ⌬ state is bound by a charge᎐quadrupole interaction and has a binding energy of 13.9 kcalrmol.

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