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Configuration-Dependent Interface Charge Transfer at a Molecule−Metal Junction

✍ Scribed by Wang, Li; Liu, Lei; Chen, Wei; Feng, Yuanping; Wee, Andrew T. S.


Book ID
127110693
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
239 KB
Volume
128
Category
Article
ISSN
0002-7863

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Solvent free energies for electron trans
✍ Daniel A. Rose; Ilan Benjamin 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 468 KB

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