reorganization energies

Electrochemical Electron Transfer and Proton-Coupled Electron Transfer: Effects of Double Layer and Ionic Environment on Solvent Reorganization Energies

208. S. Ghosh, A. V. Soudackov, and S. Hammes-Schiffer, “Electrochemical electron transfer and proton-coupled electron transfer: Effects of double layer and ionic environment on solvent reorganization energies,” J. Chem. Theory Comput. 12, 2917-2925 (2016).

Calculation of electrochemical reorganization energies for redox molecules at self-assembled monolayer modified electrodes

187. S. Ghosh and S. Hammes-Schiffer, “Calculation of electrochemical reorganization energies for redox molecules at self-assembled monolayer modified electrodes,” J. Phys. Chem. Lett. 6, 1-5 (2015).

Electrochemical solvent reorganization energies in the framework of the polarizable continuum model

176. S. Ghosh, S. Horvath, A. V. Soudackov, and S. Hammes-Schiffer, “Electrochemical solvent reorganization energies in the framework of the polarizable continuum model,” J. Chem. Theory Comput. 10, 2091-2102 (2014).

Nonadiabatic proton-coupled electron transfer reactions: Impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates

74. E. Hatcher, A. Soudackov, and S. Hammes-Schiffer, “Nonadiabatic proton-coupled electron transfer reactions: Impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates,” J. Phys. Chem. B 109 18565-18574 (2005).