electron transfer

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).

Effect of Protonation upon Electronic Coupling in the Mixed Valence and Mixed Protonated Complex, [Ni(2,3-pyrazinedithiol)2]

204. S. Kennedy, P. Goyal, M. Kozar, H. Yennawar, S. Hammes-Schiffer, and B. Lear “Effect of protonation upon electron coupling in the mixed valence and mixed protonated complex, [Ni(2,3-pyrazinedithiol)2],” Inorg. Chem. 55, 1433-1445 (2016).

Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

174. C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, “Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales,” J. Chem. Phys. 140, 034113 (2014).

Theoretical formulation for electron transfer coupled to multiple protons: Application to amidinium-carboxylate interfaces

45. I. Rostov and S. Hammes-Schiffer, “Theoretical formulation for electron transfer coupled to multiple protons: Application to amidinium-carboxylate interfaces,” J. Chem. Phys. 115, 285-296 (2001).

Theoretical study of electron, proton, and proton-coupled electron transfer reactions in iron bi-imidazoline complexes

44. N. Iordanova, H. Decornez, and S. Hammes-Schiffer, “Theoretical study of electron, proton, and proton-coupled electron transfer reactions in iron bi-imidazoline complexes,” J. Am. Chem. Soc. 123, 3723-3733 (2001).

Mixed quantum/classical dynamics of single proton, multiple proton, and proton-coupled electron transfer reactions in the condensed phase

24. S. Hammes-Schiffer, “Mixed quantum/classical dynamics of single proton, multiple proton, and proton-coupled electron transfer reactions in the condensed phase,” pp. 73-119 in Comparisons of Classical and Quantum Dynamics, Volume II of Advances in Classical Trajectory Methods, ed. W. L. Hase (JAI Press, Inc., Greenwich, 1998)

Electric field effects on emission line shapes when electron transfer competes with emission: An example from photosynthetic reaction centers

6. D.J. Lockhart, S.L. Hammes, S. Franzen, and S.G. Boxer, “Electric field effects on emission line shapes when electron transfer competes with emission: An example from photosynthetic reaction centers,” J. Phys. Chem. 95, 2217-2226 (1991).