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Alexander V Soudackov, Ph.D. - Publications

Affiliations: 
1986-1994 Lab of Quantum Chemistry and Statistical Physics Karpov Institute of Physical Chemistry 
 1994-1996 Chemistry University of Hannover, Germany 
 1998-2000 Chemistry and Biochemistry University of Notre Dame, Notre Dame, IN, United States 
 2000-2002 Chemistry University of Utah, Salt Lake City, UT 
 2002-2013 Chemistry Pennsylvania State University, State College, PA, United States 
 2013-2018 Chemistry University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
 2018- Chemistry Yale University, New Haven, CT 
Area:
Theoretical Chemistry
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Year Citation  Score
2024 Zhu Q, Soudackov AV, Tommos C, Hammes-Schiffer S. Proton-Coupled Electron Transfer upon Oxidation of Tyrosine in a De Novo Protein: Analysis of Proton Acceptor Candidates. Biochemistry. PMID 39024184 DOI: 10.1021/acs.biochem.4c00211  0.641
2024 Zhong J, Soudackov AV, Hammes-Schiffer S. Probing Nonadiabaticity of Proton-Coupled Electron Transfer in Ribonucleotide Reductase. The Journal of Physical Chemistry Letters. 15: 1686-1693. PMID 38315651 DOI: 10.1021/acs.jpclett.3c03552  0.62
2024 Lewis NB, Bisbey RP, Westendorff KS, Soudackov AV, Surendranath Y. A molecular-level mechanistic framework for interfacial proton-coupled electron transfer kinetics. Nature Chemistry. PMID 38228851 DOI: 10.1038/s41557-023-01400-0  0.477
2024 Kessinger MC, Xu J, Cui K, Loague Q, Soudackov AV, Hammes-Schiffer S, Meyer GJ. Direct Evidence for a Sequential Electron Transfer-Proton Transfer Mechanism in the PCET Reduction of a Metal Hydroxide Catalyst. Journal of the American Chemical Society. PMID 38193695 DOI: 10.1021/jacs.3c10742  0.606
2023 Cui K, Soudackov AV, Hammes-Schiffer S. Modeling the Weak pH Dependence of Proton-Coupled Electron Transfer for Tryptophan Derivatives. The Journal of Physical Chemistry Letters. 10980-10987. PMID 38039095 DOI: 10.1021/acs.jpclett.3c02282  0.507
2023 Cui K, Soudackov AV, Kessinger MC, Xu J, Meyer GJ, Hammes-Schiffer S. General Kinetic Model for pH Dependence of Proton-Coupled Electron Transfer: Application to an Electrochemical Water Oxidation System. Journal of the American Chemical Society. PMID 37611195 DOI: 10.1021/jacs.3c05535  0.531
2023 Konstantinovsky D, Perets EA, Santiago T, Olesen K, Wang Z, Soudackov AV, Yan ECY, Hammes-Schiffer S. Correction to "Design of an Electrostatic Frequency Map for the NH Stretch of the Protein Backbone and Application to Chiral Sum Frequency Generation Spectroscopy". The Journal of Physical Chemistry. B. PMID 37311104 DOI: 10.1021/acs.jpcb.3c03494  0.365
2023 Rousseau BJG, Soudackov AV, Tuttle RR, Reynolds MM, Finke RG, Hammes-Schiffer S. Computational Insights into the Mechanism of Nitric Oxide Generation from -Nitrosoglutathione Catalyzed by a Copper Metal-Organic Framework. Journal of the American Chemical Society. 145: 10285-10294. PMID 37126424 DOI: 10.1021/jacs.3c01569  0.439
2023 Konstantinovsky D, Perets EA, Santiago T, Olesen K, Wang Z, Soudackov AV, Yan ECY, Hammes-Schiffer S. Design of an Electrostatic Frequency Map for the NH Stretch of the Protein Backbone and Application to Chiral Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry. B. PMID 36916645 DOI: 10.1021/acs.jpcb.3c00217  0.42
2022 Yang Y, Agarwal RG, Hutchison P, Rizo R, Soudackov AV, Lu X, Herrero E, Feliu JM, Hammes-Schiffer S, Mayer JM, Abruña HD. Inverse kinetic isotope effects in the oxygen reduction reaction at platinum single crystals. Nature Chemistry. PMID 36357789 DOI: 10.1038/s41557-022-01084-y  0.53
2022 Kessinger M, Soudackov AV, Schneider J, Bangle RE, Hammes-Schiffer S, Meyer GJ. Reorganization Energies for Interfacial Proton-Coupled Electron Transfer to a Water Oxidation Catalyst. Journal of the American Chemical Society. PMID 36314899 DOI: 10.1021/jacs.2c09672  0.576
2022 Reinhardt CR, Konstantinovsky D, Soudackov AV, Hammes-Schiffer S. Kinetic model for reversible radical transfer in ribonucleotide reductase. Proceedings of the National Academy of Sciences of the United States of America. 119: e2202022119. PMID 35714287 DOI: 10.1073/pnas.2202022119  0.538
2022 Warburton RE, Soudackov AV, Hammes-Schiffer S. Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer. Chemical Reviews. PMID 35230812 DOI: 10.1021/acs.chemrev.1c00929  0.635
2022 Yang Y, Peltier CR, Zeng R, Schimmenti R, Li Q, Huang X, Yan Z, Potsi G, Selhorst R, Lu X, Xu W, Tader M, Soudackov AV, Zhang H, Krumov M, et al. Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies. Chemical Reviews. PMID 35133808 DOI: 10.1021/acs.chemrev.1c00331  0.497
2021 Secor M, Soudackov AV, Hammes-Schiffer S. Artificial Neural Networks as Propagators in Quantum Dynamics. The Journal of Physical Chemistry Letters. 12: 10654-10662. PMID 34704767 DOI: 10.1021/acs.jpclett.1c03117  0.422
2021 Veenis AJ, Li P, Soudackov AV, Hammes-Schiffer S, Bevilacqua PC. Investigation of the p of the Nucleophilic O2' of the Hairpin Ribozyme. The Journal of Physical Chemistry. B. 125: 11869-11883. PMID 34695361 DOI: 10.1021/acs.jpcb.1c06546  0.382
2021 Secor M, Soudackov AV, Hammes-Schiffer S. Artificial Neural Networks as Mappings between Proton Potentials, Wave Functions, Densities, and Energy Levels. The Journal of Physical Chemistry Letters. 12: 2206-2212. PMID 33630595 DOI: 10.1021/acs.jpclett.1c00229  0.514
2021 Barragan AM, Soudackov AV, Luthey-Schulten Z, Hammes-Schiffer S, Schulten K, Solov'yov IA. Theoretical Description of the Primary Proton-Coupled Electron Transfer Reaction in the Cytochrome Complex. Journal of the American Chemical Society. PMID 33397104 DOI: 10.1021/jacs.0c07799  0.636
2020 Li P, Soudackov AV, Koronkiewicz B, Mayer JM, Hammes-Schiffer S. Theoretical Study of Shallow Distance Dependence of Proton-Coupled Electron Transfer in Oligoproline Peptides. Journal of the American Chemical Society. PMID 32664731 DOI: 10.1021/Jacs.0C04716  0.656
2020 Lam Y, Soudackov AV, Hammes-Schiffer S. Theory of Electrochemical Proton-Coupled Electron Transfer in Diabatic Vibronic Representation: Application to Proton Discharge on Metal Electrodes in Alkaline Solution The Journal of Physical Chemistry C. 124: 27309-27322. DOI: 10.1021/acs.jpcc.0c08096  0.355
2019 Lam YC, Soudackov AV, Hammes-Schiffer S. Kinetics of Proton Discharge on Metal Electrodes: Effects of Vibrational Nonadiabaticity and Solvent Dynamics. The Journal of Physical Chemistry Letters. PMID 31436424 DOI: 10.1021/Acs.Jpclett.9B01984  0.668
2019 Goldsmith ZK, Soudackov AV, Hammes-Schiffer S. Theoretical analysis of the inverted region in photoinduced proton-coupled electron transfer. Faraday Discussions. PMID 31017599 DOI: 10.1039/C8Fd00240A  0.647
2019 Lam Y, Soudackov AV, Goldsmith ZK, Hammes-Schiffer S. Theory of Proton Discharge on Metal Electrodes: Electronically Adiabatic Model The Journal of Physical Chemistry C. 123: 12335-12345. DOI: 10.1021/Acs.Jpcc.9B02148  0.614
2019 Barragan AM, Soudackov AV, Luthey-Schulten Z, Schulten K, Hammes-Schiffer S, Solov'yov I. Unveiling the Rate-Limiting Step of the Bc1 Complex Reaction Mechanism Biophysical Journal. 116: 419a. DOI: 10.1016/J.Bpj.2018.11.2257  0.522
2018 Goldsmith ZK, Lam YC, Soudackov AV, Hammes-Schiffer S. Proton Discharge on a Gold Electrode from Triethylammonium in Acetonitrile: Theoretical Modeling of Potential-Dependent Kinetic Isotope Effects. Journal of the American Chemical Society. PMID 30570256 DOI: 10.1021/Jacs.8B11826  0.643
2018 Li P, Soudackov AV, Hammes-Schiffer S. Impact of Mutations on the Binding Pocket of Soybean Lipoxygenase: Implications for Proton-Coupled Electron Transfer. The Journal of Physical Chemistry Letters. PMID 30359035 DOI: 10.1021/Acs.Jpclett.8B02945  0.537
2018 Li P, Soudackov AV, Hammes-Schiffer S. Fundamental Insights into Proton-Coupled Electron Transfer in Soybean Lipoxygenase from Quantum Mechanical/Molecular Mechanical Free Energy Simulations. Journal of the American Chemical Society. PMID 29392938 DOI: 10.1021/Jacs.7B13642  0.645
2017 Hu S, Soudackov AV, Hammes-Schiffer S, Klinman JP. Enhanced Rigidification within a Double Mutant of Soybean Lipoxygenase Provides Experimental Support for Vibronically Nonadiabatic Proton-Coupled Electron Transfer Models. Acs Catalysis. 7: 3569-3574. PMID 29250456 DOI: 10.1021/Acscatal.7B00688  0.608
2017 Ghosh S, Soudackov AV, Hammes-Schiffer S. Role of Proton Diffusion in the Nonexponential Kinetics of Proton-Coupled Electron Transfer from Photoreduced ZnO Nanocrystals. Acs Nano. PMID 28925682 DOI: 10.1021/Acsnano.7B05009  0.639
2017 Ghosh S, Castillo-Lora J, Soudackov AV, Mayer JM, Hammes-Schiffer S. Theoretical Insights into Proton-Coupled Electron Transfer from a Photoreduced ZnO Nanocrystal to an Organic Radical. Nano Letters. PMID 28846428 DOI: 10.1021/Acs.Nanolett.7B02642  0.675
2016 Soudackov AV, Hammes-Schiffer S. Proton-coupled electron transfer reactions: analytical rate constants and case study of kinetic isotope effects in lipoxygenase. Faraday Discussions. PMID 27735009 DOI: 10.1039/C6Fd00122J  0.664
2016 Yu T, Soudackov AV, Hammes-Schiffer S. Computational Insights Into Five- Versus Six-Coordinate Iron Center in Ferrous Soybean Lipoxygenase. The Journal of Physical Chemistry Letters. PMID 27532889 DOI: 10.1021/Acs.Jpclett.6B01626  0.488
2016 Ghosh S, Soudackov AV, Hammes-Schiffer S. Electrochemical Electron Transfer and Proton-Coupled Electron Transfer: Effects of Double Layer and Ionic Environment on Solvent Reorganization Energies. Journal of Chemical Theory and Computation. PMID 27111050 DOI: 10.1021/Acs.Jctc.6B00233  0.621
2016 Goyal P, Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S. Proton Quantization and Vibrational Relaxation in Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex. The Journal of Physical Chemistry. B. PMID 26812149 DOI: 10.1021/Acs.Jpcb.5B12015  0.67
2016 Tchougréeff AL, Soudackov AV, Van Leusen J, Kögerler P, Becker KD, Dronskowski R. Effective hamiltonian crystal field: Present status and applications to iron compounds International Journal of Quantum Chemistry. 116: 282-294. DOI: 10.1002/Qua.25016  0.324
2015 Soudackov AV, Hammes-Schiffer S. Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion. The Journal of Chemical Physics. 143: 194101. PMID 26590521 DOI: 10.1063/1.4935045  0.674
2015 Harshan AK, Yu T, Soudackov AV, Hammes-Schiffer S. Dependence of Vibronic Coupling on Molecular Geometry and Environment: Bridging Hydrogen Atom Transfer and Electron-Proton Transfer. Journal of the American Chemical Society. PMID 26412613 DOI: 10.1021/Jacs.5B07327  0.69
2015 Goyal P, Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S. Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex. The Journal of Physical Chemistry. B. 119: 2758-68. PMID 25545667 DOI: 10.1021/Jp5126969  0.592
2014 Ghosh S, Horvath S, Soudackov AV, Hammes-Schiffer S. Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model. Journal of Chemical Theory and Computation. 10: 2091-102. PMID 26580536 DOI: 10.1021/Ct500051E  0.605
2014 Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S. Nonadiabatic dynamics of electron transfer in solution: explicit and implicit solvent treatments that include multiple relaxation time scales. The Journal of Chemical Physics. 140: 034113. PMID 25669369 DOI: 10.1063/1.4855295  0.597
2014 Soudackov AV, Hammes-Schiffer S. Probing Nonadiabaticity in the Proton-Coupled Electron Transfer Reaction Catalyzed by Soybean Lipoxygenase. The Journal of Physical Chemistry Letters. 5: 3274-3278. PMID 25258676 DOI: 10.1021/Jz501655V  0.676
2014 Hu S, Sharma SC, Scouras AD, Soudackov AV, Carr CA, Hammes-Schiffer S, Alber T, Klinman JP. Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation. Journal of the American Chemical Society. 136: 8157-60. PMID 24884374 DOI: 10.1021/Ja502726S  0.488
2014 Tchougréeff AL, Soudackov AV. Effective Hamiltonian crystal fields: Present status and applicability to magnetic interactions in polynuclear transition metal complexes Russian Journal of Physical Chemistry A. 88: 1904-1913. DOI: 10.1134/S0036024414110053  0.322
2014 Ghosh S, Horvath S, Soudackov AV, Hammes-Schiffer S. Electrochemical solvent reorganization energies in the framework of the polarizable continuum model Journal of Chemical Theory and Computation. 10: 2091-2102. DOI: 10.1021/ct500051e  0.45
2013 Ko C, Solis BH, Soudackov AV, Hammes-Schiffer S. Photoinduced proton-coupled electron transfer of hydrogen-bonded p-nitrophenylphenol-methylamine complex in solution. The Journal of Physical Chemistry. B. 117: 316-25. PMID 23237233 DOI: 10.1021/Jp3107292  0.606
2012 Auer B, Soudackov AV, Hammes-Schiffer S. Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: comparison of explicit and implicit solvent simulations. The Journal of Physical Chemistry. B. 116: 7695-708. PMID 22651684 DOI: 10.1021/Jp3031682  0.583
2012 Horvath S, Fernandez LE, Soudackov AV, Hammes-Schiffer S. Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production. Proceedings of the National Academy of Sciences of the United States of America. 109: 15663-8. PMID 22529352 DOI: 10.1073/Pnas.1118333109  0.638
2011 Hazra A, Soudackov AV, Hammes-Schiffer S. Isotope Effects on the Nonequilibrium Dynamics of Ultrafast Photoinduced Proton-Coupled Electron Transfer Reactions in Solution. The Journal of Physical Chemistry Letters. 2: 36-40. PMID 26295211 DOI: 10.1021/Jz101532G  0.652
2011 Soudackov AV, Hazra A, Hammes-Schiffer S. Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: sequential, concerted, and complex branching mechanisms. The Journal of Chemical Physics. 135: 144115. PMID 22010706 DOI: 10.1063/1.3651083  0.642
2011 Hazra A, Soudackov AV, Hammes-Schiffer S. Correction to “Isotope Effects on the Nonequilibrium Dyanamics of Ultrafast Photoinduced Proton-Coupled Electron Transfer Reactions in Solution” The Journal of Physical Chemistry Letters. 2: 1892-1892. DOI: 10.1021/Jz2009693  0.625
2011 Hazra A, Soudackov AV, Hammes-Schiffer S. Isotope effects on the nonequilibrium dynamics of ultrafast photoinduced proton-coupled electron transfer reactions in solution Journal of Physical Chemistry Letters. 2: 36-40. DOI: 10.1021/jz101532g  0.617
2010 Hazra A, Soudackov AV, Hammes-Schiffer S. Role of solvent dynamics in ultrafast photoinduced proton-coupled electron transfer reactions in solution. The Journal of Physical Chemistry. B. 114: 12319-32. PMID 20809583 DOI: 10.1021/Jp1051547  0.625
2010 Edwards SJ, Soudackov AV, Hammes-Schiffer S. Impact of distal mutation on hydrogen transfer interface and substrate conformation in soybean lipoxygenase. The Journal of Physical Chemistry. B. 114: 6653-60. PMID 20423074 DOI: 10.1021/Jp100133P  0.567
2010 Ludlow MK, Soudackov AV, Hammes-Schiffer S. Electrochemical proton-coupled electron transfer of an osmium aquo complex: theoretical analysis of asymmetric tafel plots and transfer coefficients. Journal of the American Chemical Society. 132: 1234-5. PMID 20067257 DOI: 10.1021/Ja910277P  0.621
2010 Venkataraman C, Soudackov AV, Hammes-Schiffer S. Dynamics of photoinduced proton-coupled electron transfer at molecule-semiconductor interfaces: A reduced density matrix approach Journal of Physical Chemistry C. 114: 487-496. DOI: 10.1021/Jp908798N  0.606
2009 Venkataraman C, Soudackov AV, Hammes-Schiffer S. Photoinduced homogeneous proton-coupled electron transfer: model study of isotope effects on reaction dynamics. The Journal of Chemical Physics. 131: 154502. PMID 20568867 DOI: 10.1063/1.3249964  0.593
2009 Chakravorty DK, Soudackov AV, Hammes-Schiffer S. Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: analysis of hydrogen bonding, conformational motions, and electrostatics. Biochemistry. 48: 10608-19. PMID 19799395 DOI: 10.1021/Bi901353V  0.594
2009 Edwards SJ, Soudackov AV, Hammes-Schiffer S. Driving force dependence of rates for nonadiabatic proton and proton-coupled electron transfer: conditions for inverted region behavior. The Journal of Physical Chemistry. B. 113: 14545-8. PMID 19795899 DOI: 10.1021/Jp907808T  0.538
2009 Ludlow MK, Soudackov AV, Hammes-Schiffer S. Theoretical analysis of the unusual temperature dependence of the kinetic isotope effect in quinol oxidation. Journal of the American Chemical Society. 131: 7094-102. PMID 19351186 DOI: 10.1021/Ja9001184  0.625
2009 Kumarasiri M, Baker GA, Soudackov AV, Hammes-Schiffer S. Computational approach for ranking mutant enzymes according to catalytic reaction rates. The Journal of Physical Chemistry. B. 113: 3579-83. PMID 19235997 DOI: 10.1021/Jp810363K  0.519
2009 Edwards SJ, Soudackov AV, Hammes-Schiffer S. Analysis of kinetic isotope effects for proton-coupled electron transfer reactions. The Journal of Physical Chemistry. A. 113: 2117-26. PMID 19182970 DOI: 10.1021/Jp809122Y  0.623
2008 Hammes-Schiffer S, Hatcher E, Ishikita H, Skone JH, Soudackov AV. Theoretical Studies of Proton-Coupled Electron Transfer: Models and Concepts Relevant to Bioenergetics. Coordination Chemistry Reviews. 252: 384-394. PMID 21057592 DOI: 10.1016/J.Ccr.2007.07.019  0.617
2008 Chakravorty DK, Kumarasiri M, Soudackov AV, Hammes-Schiffer S. Implementation of umbrella integration within the framework of the empirical valence bond approach. Journal of Chemical Theory and Computation. 4: 1974-1980. PMID 19319209 DOI: 10.1021/Ct8003386  0.496
2008 Hammes-Schiffer S, Soudackov AV. Proton-coupled electron transfer in solution, proteins, and electrochemistry. The Journal of Physical Chemistry. B. 112: 14108-23. PMID 18842015 DOI: 10.1021/Jp805876E  0.662
2008 Navrotskaya I, Soudackov AV, Hammes-Schiffer S. Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces. The Journal of Chemical Physics. 128: 244712. PMID 18601370 DOI: 10.1063/1.2940203  0.636
2008 Venkataraman C, Soudackov AV, Hammes-Schiffer S. Theoretical formulation of nonadiabatic electrochemical proton-coupled electron transfer at metal-solution interfaces Journal of Physical Chemistry C. 112: 12386-12397. DOI: 10.1021/Jp802171Y  0.613
2007 Ishikita H, Soudackov AV, Hammes-Schiffer S. Buffer-assisted proton-coupled electron transfer in a model rhenium-tyrosine complex. Journal of the American Chemical Society. 129: 11146-52. PMID 17705482 DOI: 10.1021/Ja072708K  0.649
2007 Hatcher E, Soudackov AV, Hammes-Schiffer S. Proton-coupled electron transfer in soybean lipoxygenase: dynamical behavior and temperature dependence of kinetic isotope effects. Journal of the American Chemical Society. 129: 187-96. PMID 17199298 DOI: 10.1021/Ja0667211  0.639
2006 Skone JH, Soudackov AV, Hammes-Schiffer S. Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: implications for proton-coupled electron transfer mechanisms. Journal of the American Chemical Society. 128: 16655-63. PMID 17177415 DOI: 10.1021/Ja0656548  0.659
2006 Ohta Y, Soudackov AV, Hammes-Schiffer S. Extended spin-boson model for nonadiabatic hydrogen tunneling in the condensed phase. The Journal of Chemical Physics. 125: 144522. PMID 17042624 DOI: 10.1063/1.2354500  0.569
2006 Small YA, Guallar V, Soudackov AV, Hammes-Schiffer S. Hydrogen bonding pathways in human dihydroorotate dehydrogenase. The Journal of Physical Chemistry. B. 110: 19704-10. PMID 17004840 DOI: 10.1021/Jp065034T  0.525
2006 Maupin CM, Wong KF, Soudackov AV, Kim S, Voth GA. A multistate empirical valence bond description of protonatable amino acids. The Journal of Physical Chemistry. A. 110: 631-9. PMID 16405335 DOI: 10.1021/Jp053596R  0.698
2006 Watney JB, Soudackov AV, Wong KF, Hammes-Schiffer S. Calculation of the transition state theory rate constant for a general reaction coordinate: Application to hydride transfer in an enzyme Chemical Physics Letters. 418: 268-271. DOI: 10.1016/J.Cplett.2005.10.129  0.564
2005 Hatcher E, Soudackov A, Hammes-Schiffer S. Nonadiabatic proton-coupled electron transfer reactions: impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates. The Journal of Physical Chemistry. B. 109: 18565-74. PMID 16853391 DOI: 10.1021/Jp052909F  0.626
2005 Soudackov A, Hatcher E, Hammes-Schiffer S. Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions. The Journal of Chemical Physics. 122: 14505. PMID 15638672 DOI: 10.1063/1.1814635  0.627
2005 Hatcher E, Soudackov A, Hammes-Schiffer S. Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions Chemical Physics. 319: 93-100. DOI: 10.1016/J.Chemphys.2005.05.043  0.64
2004 Hatcher E, Soudackov AV, Hammes-Schiffer S. Proton-coupled electron transfer in soybean lipoxygenase. Journal of the American Chemical Society. 126: 5763-75. PMID 15125669 DOI: 10.1021/Ja039606O  0.658
2002 Day TJF, Soudackov AV, Čuma M, Schmitt UW, Voth GA. A second generation multistate empirical valence bond model for proton transport in aqueous systems The Journal of Chemical Physics. 117: 5839-5849. DOI: 10.1063/1.1497157  0.497
2000 Soudackov A, Hammes-Schiffer S. Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution Journal of Chemical Physics. 113: 2385-2396. DOI: 10.1063/1.482053  0.657
2000 Vener M, Rostov I, Soudackov A, Basilevsky M. Semiempirical modeling free energy surfaces for proton transfer in polar aprotic solvents Chemical Physics. 254: 249-265. DOI: 10.1016/S0301-0104(00)00045-8  0.305
1999 Soudackov A, Hammes-Schiffer S. Multistate continuum theory for multiple charge transfer reactions in solution The Journal of Chemical Physics. 111: 4672-4687. DOI: 10.1063/1.479229  0.604
1999 Soudackov A, Hammes-Schiffer S. Theoretical Study of Photoinduced Proton-Coupled Electron Transfer through Asymmetric Salt Bridges Journal of the American Chemical Society. 121: 10598-10607. DOI: 10.1021/Ja992380Y  0.669
1999 Soudackov AV, Hammes-Schiffer S. Removal of the double adiabatic approximation for proton-coupled electron transfer reactions in solution Chemical Physics Letters. 299: 503-510. DOI: 10.1016/S0009-2614(98)01347-5  0.667
1997 Soudackov AV, Jug K. Effective Hamiltonian-Crystal Field On The Indo Level : Calculations Of D-D Spectra Of Some Iron(Ii) Compounds International Journal of Quantum Chemistry. 62: 403-418. DOI: 10.1002/(Sici)1097-461X(1997)62:4<403::Aid-Qua8>3.0.Co;2-#  0.497
1996 Basilevsky M, Vener M, Davidovich G, Soudackov A. Dynamics of proton transfer reactions in polar solvent in the non-adiabatic two-state approximation: test calculations for carbon-carbon reaction centre Chemical Physics. 208: 267-282. DOI: 10.1016/0301-0104(96)00058-4  0.311
1996 Soudackov AV, Tchougreeff AL, Misurkin IA. Crystal‐field splittings and optical spectra of transition‐metal mixed‐ligand complexes by effective Hamiltonian method International Journal of Quantum Chemistry. 57: 663-671. DOI: 10.1002/(Sici)1097-461X(1996)57:4<663::Aid-Qua13>3.0.Co;2-1  0.339
1995 Basilevsky M, Soudackov A, Vener M. Electron-proton free-energy surfaces for proton transfer reaction in polar solvents: test calculations for carbon-carbon reaction centres Chemical Physics. 200: 87-106. DOI: 10.1016/0301-0104(95)00227-F  0.375
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