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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...
Gorde:
| Argitaratua izan da: | Sci Rep |
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| Egile Nagusiak: | , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Nature Publishing Group UK
2020
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7042225/ https://ncbi.nlm.nih.gov/pubmed/32098984 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-60033-2 |
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