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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Zheng, Chong, McCammon, J. Andrew, Wolynes, Peter G.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 1989
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC297859/
https://ncbi.nlm.nih.gov/pubmed/16594063
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