| DOI | Trouver le DOI : https://doi.org/10.1016/j.cplett.2004.07.080 |
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| Auteur | Rechercher : Smedarchina, Zorka1; Rechercher : Fernandez-Ramos, Antonio; Rechercher : Siebrand, Willem1 |
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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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| Résumé | A direct dynamics calculation based on instanton techniques is reported of tunneling splittings in the formic acid dimer and its deuterated isotopomers for the zero-point level and the lowest vibrationally excited level of a nontotally symmetric CO-stretch vibration. A new method is introduced to calculate the effect of anharmonic couplings for skeletal modes that are not linearly coupled to proton tunneling modes. The calculated splittings are in good agreement with recent observations for (DCOOH)2 provided the proposed tentative assignment is reversed such that the excited level has the smaller splitting. |
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| Date de publication | 2004-09-11 |
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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 | 12338227 |
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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 | 298bcb28-78dd-4c54-af37-770d598ab68b |
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| Enregistrement créé | 2009-09-10 |
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| Enregistrement modifié | 2023-06-23 |
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