Study of the vibrational spectra of (CH3)3GeCl from experimental and DFT calculations
✍ Scribed by María Lorena Roldán; Silvia Antonia Brandán; Amparo Navarro; Aída Ben Altabef
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 189 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0377-0486
- DOI
- 10.1002/jrs.2304
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Spectroscopic and theoretical studies of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane are presented. Molecular dynamics calculations were performed to scan the conformational space of the molecule. Density functional calculations were carried out on the stable conformers to obtain a better description of m