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Ab initio calculations of torsionally mediated hyperfine splittings in E states of acetaldehyde
Quantum chemistry packages can be used to predict with reasonable accuracy spin-rotation hyperfine interaction constants for methanol, which contains one methyl-top internal rotor. In this work we use one of these packages to calculate components of the spin-rotation interaction tensor for acetaldeh...
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| Udgivet i: | J Mol Spectrosc |
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| Main Authors: | , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2017
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6508553/ https://ncbi.nlm.nih.gov/pubmed/31080294 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jms.2017.06.008 |
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