Ethane Internal Rotation -Vibrational Hamiltonian
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| Format: | Artículo científico |
| Langue: | en |
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Sociedad Química de México
2008
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| _version_ | 1876424124416393216 |
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| author | David Ricardo Hidalgo Olguín |
| author_facet | David Ricardo Hidalgo Olguín |
| contents | Ethane Internal Rotation -Vibrational Hamiltonian David Ricardo Hidalgo Olguín María Villa María Luisa Senent Marco Antonio Mora Delgado Multidisciplinaria (Ciencias Naturales y Exactas) FIR Ethane ab initio IR Spectrum One of the main purposes of a theoretical spectroscopist is topropose a model to reproduce the xperimental spectra available in theliterature as accurate and with as much physical information as possible.In this case it has been studied the Far infrared an Infrared spectraof non-rigid molecules, introducing in the Vibrational Potential theirdependence on the large amplitude variables. The molecule that hasbeen selected to test our proposed Hamiltonian is ethane which is avery well studied molecule. The molecule is a non-rigid molecule andtheir experimental spectra have been reported in the literature. 2008 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47552115 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.1 Vol.52 |
| format | Artículo científico |
| id | redalyc_47552115 |
| institution | Redalyc |
| language | en |
| publishDate | 2008 |
| publisher | Sociedad Química de México |
| spellingShingle | Ethane Internal Rotation -Vibrational Hamiltonian David Ricardo Hidalgo Olguín Multidisciplinaria (Ciencias Naturales y Exactas) FIR Ethane ab initio IR Spectrum Ethane Internal Rotation -Vibrational Hamiltonian David Ricardo Hidalgo Olguín María Villa María Luisa Senent Marco Antonio Mora Delgado Multidisciplinaria (Ciencias Naturales y Exactas) FIR Ethane ab initio IR Spectrum One of the main purposes of a theoretical spectroscopist is topropose a model to reproduce the xperimental spectra available in theliterature as accurate and with as much physical information as possible.In this case it has been studied the Far infrared an Infrared spectraof non-rigid molecules, introducing in the Vibrational Potential theirdependence on the large amplitude variables. The molecule that hasbeen selected to test our proposed Hamiltonian is ethane which is avery well studied molecule. The molecule is a non-rigid molecule andtheir experimental spectra have been reported in the literature. 2008 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47552115 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.1 Vol.52 |
| title | Ethane Internal Rotation -Vibrational Hamiltonian |
| topic | Multidisciplinaria (Ciencias Naturales y Exactas) FIR Ethane ab initio IR Spectrum |
| url | https://www.redalyc.org/articulo.oa?id=47552115 |