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Nonbonded interaction potentials in methyl-substituted butanes, obtained from high-energy overtone spectra
The observed decrease in local mode anharmonicity with increasing methyl substitution in butane is related to a change in potential energy along a methyl CH-stretching coordinate. The potential energy change is modeled by Lennard-Jones 6-12 and Morse potentials and the resultant potential parameters...
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| Vydáno v: | Proc Natl Acad Sci U S A |
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| Hlavní autoři: | , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
National Academy of Sciences
1981
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC319864/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16592972/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.78.2.686 |
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