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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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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
1989
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC297859/ https://ncbi.nlm.nih.gov/pubmed/16594063 |
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