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A Hybrid Program for Fitting Rotationally Resolved Spectra of Floppy Molecules with One Large-Amplitude Rotatory Motion and One Large-Amplitude Oscillatory Motion
A new hybrid-model fitting program for methylamine-like molecules has been developed, based on an effective Hamiltonian in which the ammonia-like inversion motion is treated using a tunneling formalism, while the internal-rotation motion is treated using an explicit kinetic energy operator and poten...
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| Izdano u: | J Phys Chem A |
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| Glavni autori: | , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2015
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| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4758688/ https://ncbi.nlm.nih.gov/pubmed/26439709 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.5b08437 |
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