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Quantum dynamics studies of isotope effects in the Mg(+)(3p) + HD → MgH(+)/MgD(+) + D/H insertion reaction
The time-dependent wave packet quantum dynamics studies for the Mg(+)(3p) + HD → MgH(+)/MgD(+) + D/H diabatic reaction are carried out for the first time on recently developed diabatic YHWCH potential energy surfaces [Phys. Chem. Chem. Phys., 2018, 20, 6638–6647]. The results of reaction probabiliti...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7042225/ https://www.ncbi.nlm.nih.gov/pubmed/32098984 http://dx.doi.org/10.1038/s41598-020-60033-2 |