Equilibrium geometries of the staggered conformers of disilane, silylgermane, and digermane were located at the CCSD(T), CCSD, CISD, MP2, DFT, and HF levels of theory, using a number of valence double-and triple-zeta basis sets augmented by polarization functions. Contrary to doubts expressed by Obe
✦ LIBER ✦
The GeSi bond in silylgermane. Discrepancy between experiment and theory
✍ Scribed by Heinz Oberhammer; Thomas Lobreyer; Wolfgang Sundermeyer
- Book ID
- 107807141
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 313 KB
- Volume
- 323
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
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Ab initio calculations have be-n carried out on the fLst uld second IA" states of HCN usin,o relatively large and flexible basis sets The predicted geometries have been compared with the experimental results of Hemberg 2nd Innes and with earlier calculations on HCN. These calculations concur Mth ear