Alexander Soudackov

Alexander Soudackov


Proton-Coupled Electron Transfer; Molecular Dynamics

asouda@illinois.edu

(217) 300-1480

Ph.D in Physics and Mathematics, 1992
Karpov Institute of Physical Chemistry, Moscow, Russia

M.S. in Chemistry, 1986
Moscow State University, Moscow, Russia

Publications

Computational insights into five- versus six-coordinate iron center in ferrous soybean lipoxygenase

214. T. Yu, A. V. Soudackov, and S. Hammes-Schiffer, “Computational insights into five- versus six-coordinate iron center in ferrous soybean lipoxygenase,” J. Phys. Chem. Lett. 7, 3429-3433 (2016).

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).

Proton quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex

205. P. Goyal, C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, “Proton quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex,” J. Phys. Chem. B 120, 2407-2417 (2016).

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

200. A. V. Soudackov and S. Hammes-Schiffer, “Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion,” J. Chem. Phys. 143, 194101 (2015).

Dependence of vibronic coupling on molecular geometry and environment: Bridging hydrogen atom transfer and electron-proton transfer

197. A. K. Harshan, T. Yu, A. V. Soudackov, and S. Hammes-Schiffer, “Dependence of vibronic coupling on molecular geometry and environment: Bridging hydrogen atom transfer and electron-proton transfer,” J. Am. Chem. Soc. 137, 13545-13555 (2015).

Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex

189. P. Goyal, C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, “Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex,” J. Phys. Chem. B 119, 2758-2768 (2015).

Probing nonadiabaticity in the proton-coupled electron transfer reaction catalyzed by soybean lipoxygenase

182. A. V. Soudackov and S. Hammes-Schiffer, “Probing nonadiabaticity in the proton-coupled electron transfer reaction catalyzed by soybean lipoxygenase,” J. Phys. Chem. Lett. 5, 3274-3278 (2014).

Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation

178. S. Hu, S. C. Sharma, A. D. Scouras, A. V. Soudackov, C. A. Marcus Carr, S. Hammes-Schiffer, T. Alber, and J.P. Klinman, “Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation,” J. Am. Chem. Soc. 136, 8157-8160 (2014).

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 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).