Realistic Quantitative Descriptions of Electron Transfer Reactions: Diabatic Free-Energy Surfaces from First-Principles Molecular Dynamics
Sit, P. H.-L., Cococcioni, Matteo, Marzari, NicolaVolume:
97
Language:
english
Journal:
Physical Review Letters
DOI:
10.1103/PhysRevLett.97.028303
Date:
July, 2006
File:
PDF, 561 KB
english, 2006