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Ion-electron pseudopotentials for liquid alloys with small charge-transfer effects

✍ Scribed by L.E. González; S. Dalgiç; D.J. González; M. Silbert


Book ID
117147920
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
446 KB
Volume
205-207
Category
Article
ISSN
0022-3093

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Solvent free energies for electron trans
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Solvent free energies for electron transfer reactions at the water/Pt interface are calculated using molecular dynamics umbrella sampling for different ion charges and external electric fields. In all cases, the free energy curves as a function of solvent coordinate are in reasonable agreement with