Тема: Квантово-химический расчёт поляризации молекулярного кислорода в водной среде

1. Wu, Z.; Li, M.; Howe, J.; Meyer, H. M.; Overbury, S. H. Probing Defect Sites on CeO2 Nanocrystals with Well-Defined Surface Planes by Raman Spectroscopy and O2 Adsorption Langmuir 2010
2. Sawyer, D. T. Oxygen Chemistry; Oxford University Press: New York, 1991
3. Hayyan, M.; Mjalli, F. S.; AlNashef, I. M.; Hashim, M. A. Generation and Stability of Superoxide Ion in Tris(Pentafluoroethyl)Trifluorophosphate Anion-Based Ionic Liquids J. Fluorine Chem. 2012
4. Miller, D. D.; Siriwardane, R.; Simonyi, T. Theoretical and Experimental Analysis of Oxygen Separation from Air over Ni-Transition Metal Complexes Energy Fuels 2011
5. Vanella, A.; Di Giacomo, C.; Sorrenti, V.; Russo, A.; Castorina, C.; Campisi, A.; Renis, M.; Perez-Polo, J. R. Free Radical Scavenger Depletion in Post-ischemic Reperfusion Brain Damage Neurochem. Res. . 1993
6. Kontos, H. A.; Wei, E. P. Superoxide Production in Experimental Brain Injury J. Neurosurg. 1986
7. Majoor-Krakauer D, Willems PJ, Hofman A. Genetic epidemiology of amyotrophic lateral sclerosis. Clin Genet. 2003
8. Wang Q, Johnson JL, Agar NY, Agar JN. Protein aggregation and protein instability govern familial amyotrophic lateral sclerosis patient survival. PLoS Biol. 2008
9. Andersen PM. Amyotrophic lateral sclerosis associated with mutations in the CuZn superoxide dismutase gene. Curr Neurol Neurosci Rep. 2006
10. J.J.P. Perry, D.S. Shin, E.D. Getzoff, J.A. Tainer The structural biochemistry of the superoxide dismutases. Biochim Biophys Acta. 2010
11. Antonyuk SV, Strange RW, Marklund SL, Hasnain SS “The structure of human extracellular copper-zinc superoxide dismutase at 1.7 A resolution: insights into heparin and collagen binding". J. Mol. Biol, 2009.
12. Kennepohl P., Solomon E.I. A New Look at Biological Electron Transfer: Electronic Relaxation in Rubedoxins. Stanford University, Stanford. 2003
13. Kennepohl P., Solomon E.I., Holm R.H. Electronic Structure Contributions to Electron-Transfer Reactivity in Iron-Sulfur Active Sites: 3. Kinetics of Electron Transfer. Inorganic Chemistry. 1996
14. Housecroft, Catherine E., Alan G. Sharpe. Chapter 6: Structures and Energetics of Metallic and Ionic Solids. Inorganic Chemistry, Harlow, 2008.
15. Petrucci, Ralph H. Principles and Modern Applications. Upper Saddle River, NJ, 2007.
16. Miessler, Gary L., Donald A. Tarr Chapter 6: Acid-Base and Donor¬Acceptor Chemistry, Inorganic Chemistry. Upper Saddle River, NJ: Pearson Education, 2004.
17. Chang, Raymond Chapter 13: Intermolecular Forces/ Ion-Induced Dipole and Dipole-Induced Dipole Interactions/ Dispersion, or London, Interactions. Physical Chemistry for the Biosciences, Sansalito, CA: University Science, 2005.
18. C.E. Solivérez Electrostatics and Magnetostatics of Polarized Ellipsoidal Bodies: The Depolarization Tensor Method, Free Scientific Information (2nd edition), 2016.
19. Atkins, Peter, de Paula, Julio Atkins' Physical Chemistry. OxfordUniversity Press, 2010.
20. A. J. Silenko "Manifestation of tensor magnetic polarizability of the deuteron in storage ring experiments". Springer Berlin, Heidelberg, 2008.
21. A. Leif Hickeyand, Christopher N. Rowley Benchmarking Quantum Methods for the Calculation of Molecular Dipole Moment and Polarizabilities. J. Phys. Chem, 2014.
22. Lamoureux, G.; Harder, E.; Vorobyov, I. V.; Roux, B.; A, D. M., Jr. A Polarizable Model of Water for Molecular Dynamics Simulations of Biomolecules Chem. Phys. Lett. 2006.
23. Hammond, J. R.; Govind, N.; Kowalski, K.; Autschbach, J.; Xantheas, S.
S. Accurate Dipole Polarizabilities for Water Clusters n=2-12 at the Coupled-Cluster Level of Theory and Benchmarking of Various Density Functionals J. Chem. Phys. 2009
24. "Electron Transfer Reactions in Chemistry: Theory and
Experiment". Nobelstiftung, Retrieved 2007.
25. New Trends In Enzyme Catalysis and Mimicking Chemical Reactions, Kluwer Academic/ Plenum Publishers, Dordrecht, Likhtenshtein, G.I., 2003
26. Wurfel, P. Physics of Solar Cells: From Basic Principles to Advanced Concepts, 2nd edn, Wiley-VCH Verlag GmbH, Weinheim, 2009.
27. Khudyakov, I., Zharikov, A.A., and Burshtein, A.I., J. Chem. Phys., 2010.
28. De la Lande, A. and Salahub, D.R., J. Mol. Struct. Theochem, 2010.
29. Scherer P.O.J., Fischer S.F. Marcus Theory of Electron Transfer. In: Theoretical Molecular Biophysics. Biological and Medical Physics, Biomedical Engineering. Springer, Berlin, Heidelberg, 2017
30. Nitzan, A., Chemical Dynamics in Condensed Phases. Oxford University Press: New York, 2006.
31. S. Bhattacharyya, M. Stankovich, D. G. Truhlar, J Gao, J. Phys. Chem. 2007.
32. Hammes-Schiffer S. Introduction: Proton-Coupled Electron
Transfer. Chem. Rev. 2010.
33. Warren JJ, Mayer JM. Predicting Organic Hydrogen Atom Transfer Rate Constants Using the Marcus Cross Relation. Proc. Nat. Acad. Sci. 2010.
34. Warren JJ, Tronic TA, Mayer JM. The Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications. Chem. Rev. 2010.
35. Mader EA, Mayer JM. The Importance of Precursor and Successor Complex Formation in a Bimolecular Proton-Electron Transfer Reaction. Inorg. Chem. 2010.
36. Gunay A, Theopold KH. C-H Bond Activations by Metal Oxo Compounds. Chem. Rev. 2010.
37. Fecenko CJ, Meyer TJ, Thorp HH. Electrocatalytic Oxidation of Tyrosine by Parallel Rate-Limiting Proton Transfer and Multisite Electron-Proton Transfer. J. Am. Chem. Soc. 2010
38. Dempsey JL, Winkler JR, Gray HB. Proton-Coupled Electron Flow in Protein Redox Machines. Chem. Rev. 2010
39. James M. Mayer A Simple Marcus-Theory Type Model for Hydrogen Atom Transfer/Proton-Coupled Electron Transfer, J Phys Chem Lett, 2012.
40. Rama Kant, Jasmin Kaur, Gaurav Kumar Mishra. Theory for Influence of the Metal Electrolyte Interface on Heterogeneous Electron Transfer Rate Constant: Fractional Electron Transferred Transition State Approach. The Journal of Physical Chemistry C 2020.
41.O. Fontaine. A deeper understanding of the electron transfer is the key to the success of biredox ionic liquids. Energy Storage Materials 2019.
42. Ruba Hendi, Peter H. Robbs, Beatrice Sampson, Ryan Pearce, Neil V. Rees. The electrochemical reduction kinetics of oxygen in dimethylsulfoxide. Journal of Electroanalytical Chemistry 2018.
43. Dr. Jean M. Standard Basis Set Notation. Moscow, 2013.
44. Цирельсон В.Г. Квантовая химия. Молекулы, молекулярные системы и твердые тела : учебное пособие для вузов - 3-е издание, испр., М. : БИНОМ, Лаборатория знаний, 2014.
45. Основы работы с персональным компьютером. Учебно-методическое пособие. Тамбовский региональный центр Федерации Интернет- Образования, Тамбов, 2012.

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