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An ab initio study of the ligands diphosphinoamine and diphosphinomethane in the chelating and bridging geometries

โœ Scribed by C.Scott Browning; David H. Farrar; Michael R. Peterson


Book ID
113257280
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
577 KB
Volume
251
Category
Article
ISSN
0166-1280

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Ab initio MO study of the geometries and
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