Quantum chemical calculations on structure and bonding of macrocyclic complexes of Li(I) and Na(I)
β Scribed by Bernd M. Rode; Supot V. Hannongbua
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 557 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0020-1693
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The results of experimental studies and theoretical calculations of vibrational frequencies and structure of H-bonded associates of N,N-diphenylformamidine and its complexes with carboxylic acids and hydrogen chloride in solution are discussed. The IR and low temperature NMR spectra show the existen
The results of ab initio R H F / ~-~~G , R H F / ~-~~G \* , and ~r 2 / 6 -3 1 G \* \* / / H F / 6 -3 1 G \* calculations for 10 possible configurations of OM,H, molecules (MO . 3MH,, M = Be, Mg) are reported. Five isomers of OBe,H, and three isomers of OMg,H, have been found within an energy range o