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Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane and trans-2,3-dimethyloxirane
Oxirane derivatives are the most used benchmarks for chiroptical spectroscopies in view of their small size and relative rigidity. The molecular structure, vibrational harmonic and anharmonic frequencies, and infrared intensities of the ground electronic states are analyzed in this paper. Equilibriu...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4612369/ https://ncbi.nlm.nih.gov/pubmed/25053301 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4887357 |
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