Quantum simulation of nuclear rearrangement in electron transfer reactions
A quantum simulation scheme based on the path integral molecular dynamics technique has been used to calculate the effective activation energies associated with nuclear rearrangement in the electron transfer reactions Co(NH(3))(6)(2+) + Co(NH(3))(6)(3+) → Co(NH(3))(6)(3+) + Co(NH(3))(6)(2+) and Ru(N...
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| Udgivet i: | Proc Natl Acad Sci U S A |
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| Principais autores: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
1989
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC297859/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16594063/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.86.17.6441 |
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