| Autre titre | The CO2 molecule is never linear |
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| DOI | Trouver le DOI : https://doi.org/10.1016/j.molstruc.2020.128087 |
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| Auteur | Rechercher : Jensen, Per; Rechercher : Spanner, M.1; Rechercher : Bunker, P. R. |
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| Affiliation | - Conseil national de recherches du Canada. Technologies de sécurité et de rupture
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| Format | Texte, Article |
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| Sujet | bending distribution functions; CEI experiments; CO₂ is not linear |
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| Résumé | We make an ab initio calculation of the bending distribution functions for low lying vibrational states of the CO₂ molecule in its ground electronic state. These functions have their maximum values at a non-linear geometry, and the value zero at linearity, despite the fact that the potential surface has its minimum value at linearity. These functions are in accord with experimental distribution functions inferred by analysis of Coulomb Explosion Imaging experiments. Thus in a femto-second ‘snapshot’ of a room temperature ensemble of gas phase rotating-vibrating CO₂ molecules, none would be linear. The same can be said for any triatomic molecule. |
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| Date de publication | 2020-03-31 |
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| Maison d’édition | Elsevier |
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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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| 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 | 9dd4c212-3f4f-4e84-b5cd-fa3c8215aeb5 |
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| Enregistrement créé | 2020-06-26 |
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| Enregistrement modifié | 2021-05-20 |
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