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The energy landscape for solvent dynamics in electron transfer reactions: A minimalist model
2002
Journal of Chemical Physics
Energy fluctuations of a solute molecule embedded in a polar solvent are investigated to depict the energy landscape for solvation dynamics. The system is modeled by a charged molecule surrounded by two layers of solvent dipolar molecules with simple rotational dynamics. Individual solvent molecules are treated as simple dipoles that can point toward or away from the central charge ͑Ising spins͒. Single-spin-flip Monte Carlo kinetics simulations are carried out in a two-dimensional lattice for
doi:10.1063/1.1488588
fatcat:oeme3jrdyzagberhdbk5eexx6m