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Ab initio electronic structure of the rhodium-rhodium bond in dirhodium tetracarboxylate complexes and their cations

โœ Scribed by Nakatsuji, H.; Onishi, Y.; Ushio, J.; Yonezawa, T.


Book ID
127103442
Publisher
American Chemical Society
Year
1983
Tongue
English
Weight
1017 KB
Volume
22
Category
Article
ISSN
0020-1669

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Ab initio theoretical study of the elect
โœ A.B. Sannigrahi; P.K. Nandi; P.von R. Schleyer ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 542 KB

The ground state electronic structures and dissociation energies ofthe dialkali halide cations MtM2X+ (M,, M, = Li, Na; X= F, Cl) have been calculated at the HF and post-HF (MPn) levels using a variety of basis sets. The calculated values are in good agreement with the corresponding experimental dat