Dynamics and spectroscopy of van der Waals complexes composed of ammonia and noble gases
In this work, we calculate the rovibrational energies and spectroscopic constants for the systems formed by ammonia (NH3) and noble gases (Ng=He, Ne, Ar, Kr and Xe). For the spectroscopic constant calculations, we used two different methods: Dunham and another one that use rovibrational energies (he...
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| Other Authors: | , , , |
| Format: | article |
| Published: |
2021
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| Online Access: | https://doi.org/SETTE, Camila D’Avila Braga et al. Dynamics and spectroscopy of van der Waals complexes composed of ammonia and noble gases. Journal of Molecular Modeling, v. 25, art. n. 126, 2019. Trabalho apresentado no 7º Symposium on electronic structure and molecular dynamics, 2019. DOI: https://doi.org/10.1007/s00894-019-4023-6. https://doi.org/10.1007/s00894-019-4023-6 |
| Country: | Brazil |
| Oai: | oai:repositorio.unb.br:10482/41148 |
Internet
https://doi.org/SETTE, Camila D’Avila Braga et al. Dynamics and spectroscopy of van der Waals complexes composed of ammonia and noble gases. Journal of Molecular Modeling, v. 25, art. n. 126, 2019. Trabalho apresentado no 7º Symposium on electronic structure and molecular dynamics, 2019. DOI: https://doi.org/10.1007/s00894-019-4023-6.https://doi.org/10.1007/s00894-019-4023-6