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Ab initio MO study of the geometries of four-coordinated zinc, copper and nickel acetylacetone complexes

โœ Scribed by Fumihiko Hirota; Shuzo Shibata

Book ID
119116628
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
439 KB
Volume
137
Category
Article
ISSN
0166-1280

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Ab initio MO study of the geometries and
Ab initio MO study of the geometries and energetics of the C3Hโˆ’ anion
โœ Kozo Aoki; Kenro Hashimoto; Shigeru Ikuta; Okio Nomura ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 530 KB

The molecular structures of various conformers of the C3H-anion were studied using complete active space SCF and QCISD(T) methods. A Huzinaga-Dunning split-valence (or double-zeta) plus polarization (D95v \* \* or D95 \* \*) basis set was used. The relative stability ladder of the computed stationar