| DOI | Trouver le DOI : https://doi.org/10.1126/science.1221000 |
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| Auteur | Rechercher : Jankowski, P.; Rechercher : McKellar, A.R.W.1; Rechercher : Szalewicz, K. |
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| Affiliation | - Conseil national de recherches du Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Sujet | computer; infrared radiation; infrared spectroscopy; precision; quantum mechanics; spectrum; energy; infrared spectroscopy; quantum mechanics; theory validation; vibration |
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| Résumé | Rovibrational spectroscopy of molecules boasts extremely high precision, but its usefulness relies on the assignment of spectral features to corresponding quantum mechanical transitions. In the case of ortho-H 2-CO, a weakly bound complex abundant in the interstellar medium (although not yet observed there), the rather complex spectrum has been unexplained for more than a decade. We assigned this spectrum by comparison with a purely ab initio calculation. For most lines, agreement to within 0.01 centimeter-1 between experiment and theory was achieved. Our results show that the applicability of rovibrational spectroscopy can be extended with the assistance of high-accuracy quantum mechanical computations. |
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| Date de publication | 2012 |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 21269449 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 97b602d4-2757-44f5-985a-e458f2fdd37e |
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| Enregistrement créé | 2013-12-12 |
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| Enregistrement modifié | 2020-04-21 |
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