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A study of the ground and low-lying states of MgC2H2+ and MgC2H4+

✍ Scribed by Mariona Sodupe; Charles W. Bauschlicher Jr.


Book ID
103666799
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
817 KB
Volume
185
Category
Article
ISSN
0301-0104

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Complete-active-space SCF and multi-reference configuration interaction calculations employing large Gaussian basis sets of the general contraction type have been carried out to determine the equilibrium structures and relative stabilities of the ground electronic state R 'I& of the acetylene cation