| DOI | Resolve DOI: https://doi.org/10.1126/science.1221000 |
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| Author | Search for: Jankowski, P.; Search for: McKellar, A.R.W.1; Search for: Szalewicz, K. |
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| Affiliation | - National Research Council of Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Subject | computer; infrared radiation; infrared spectroscopy; precision; quantum mechanics; spectrum; energy; infrared spectroscopy; quantum mechanics; theory validation; vibration |
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| Abstract | 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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| Publication date | 2012 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 21269449 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 97b602d4-2757-44f5-985a-e458f2fdd37e |
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| Record created | 2013-12-12 |
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| Record modified | 2020-04-21 |
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