by Nikolai V. Shokhirev

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References

  1. Yuri A. Katz, Nikolai V. Shokhirev. Default risk modeling beyond the first-passage approximation: Extended Black-Cox model. Phys. Rev. E, 82, 2010 , 016116.
  2. T.Kh. Shokhireva, R.E. Berry, H. Zhang, N.V. Shokhirev, F.A. Walker. Assignment of Ferriheme Resonances for High- and Low-Spin Forms of Nitrophorin 3 by H and C NMR Spectroscopy and Comparison to Nitrophorin 2: Heme Pocket Structural Similarities and Differences.. Inorganica Chim. Acta., 361, No 4, 2008 , 925-940.
  3. T.Kh. Shokhireva, N.V. Shokhirev, R.E. Berry, H. Zhang, F.A. Walker. Assignment of the ferriheme resonances of high- and low-spin forms of the symmetrical hemin-reconstituted nitrophorins 1-4 by 1H and 13C NMR spectroscopy: the dynamics of heme ruffling deformations.. J. Biol. Inorg. Chem., 13, No 6, 2008 , 941-959.
  4. T. K. Shokhireva, K. M. Smith, R. E. Berry, N. V. Shokhirev, C. A, Balfour, H. Zhang, F. A. Walker. Assignment of Ferriheme Resonances in the High-Spin Forms of Nitrophorins 1 and 4 by 1H NMR Spectroscopy: Comparison to Structural data Obtained from X-Ray Crystallography. Inorg. Chem., 46, 2007 , 170-178.
  5. T. K. Shokhireva, A. Weichsel, K. M. Smith, R. E. Berry, N. V. Shokhirev, C. A. Balfour, H. J. Zhang, W. R. Montfort, F. A. Walker. Assignment of the ferriheme resonances of the low-spin complexes of nitrophorins 1 and 4 by H-1 and C-13 NMR spectroscopy: Comparison to structural data obtained from X-ray crystallography.. Inorg. Chem., 46, No 6, 2007 , 2041-2056.
  6. C. T. Watson, S. Cai, N. V. Shokhirev, F. A. Walker. NMR and EPR Studies of Low-Spin Fe(III) Complexes of meso-Tetra-(2,6-Disubstituted Phenyl)Porphyrinates Complexed to Imidazoles and Pyridines of Widely Differing Basicities.. Inorg. Chem., 44, No 21, 2005 , 7468-7484.
  7. L. A. Yatsunyk, N.V.Shokhirev, F.A.Walker. Magnetic Resonance Spectroscopic Investigations of the Electronic Ground and Excited States in Strongly Non-Planar Iron(III) Dodecasubstituted Porphyrins.. Inorg. Chem., 44, No 8, 2005 , 2848-2866.
  8. T. Kh. Shokhireva, N. V. Shokhirev, F. A. Walker. Assignment of Heme Resonances and Determination of the Electronic Structures of High- and Low-Spin Nitrophorin 2 by 1H and 13C NMR Spectroscopy: An Explanation of the Order of Heme Methyl Resonances in High-Spin Ferriheme Proteins.. Biochemistry, 42, 2003 , 679-693.
  9. F. A. Walker, T.Kh.Shokhireva, N. V. Shokhirev. NMR Investigations of the Four Nitrophorins from the Blood-Sucking Insect Rhodnius prolixus.. J. Inorg. Biochem., 96, 2003 , 25.
  10. M. J. M. Nesset, S. Cai, T. K. Shokhireva, N. V. Shokhirev, S. E. Jacobson, K. Jayaraj, A. Gold, F. A. Walker. Electronic effects in transition metal porphyrins. 10. Effect of ortho substituents on the temperature dependence of the NMR spectra of a series of spin-admixed perchloratoiron(III) tetrakis(2,6-or 2,4,6-phenyl substituted)porphyrinates.. Inorg. Chem., 39, 2000 , 532-540.
  11. N. V. Shokhirev, F. A. Walker. Co- and counter-rotation of magnetic axes and axial ligands in low- spin Ferriheme Systems.. J. Am. Chem. Soc., 120, 1998 , 981-990.
  12. L. Banci, I. Bertini, C. Luchinat, R. Pierattelli, N.V. Shokhirev, F.A. Walker. Analysis of the temperature dependence of the 1H and 13C isotropic shifts of horse heart ferricytochrome c: explanation of Curie and anti-Curie temperature dependence and nonlinear pseudocontact shifts in a two-level framework.. J. Am. Chem. Soc., 120, No 18, 1998 , 8472-8479.
  13. N. V. Shokhirev, F. A. Walker. The effect of axial ligand plane orientation on the contact and pseudocontact shifts of low-spin ferriheme proteins.. J. Biol. Inorg. Chem., 3, No 6, 1998 , 581-594.
  14. N. V. Shokhirev, T. Kh. Shokhireva, J. R. Polam, C. T. Watson, K. Raffii, U. Simonis, F. A. Walker. 2-D NMR Investigations of axial ligands in six-coordinate low-spin Iron(III) a nd Cobalt (III) tetraphenylporphyrinates having 2,6-phenyl substituents: Measurement of rate constant from 1H EXSY cross-peak intensities.. J. Phys. Chem. A, 101, 1997 , 2778-2786.
  15. W. Naumann, N. V. Shokhirev, A. Szabo. The exact asymptoyic relaxation of pseudo-first order reversible reactions.. Phys. Rev. Lett., 79, 1997 , 3074-3077.
  16. J. H. Bowen, N. V. Shokhirev, A. M. Raitsimring, D. H. Buttlaire, F.A.Walker. EPR Studies of the Dynamics of Rotation of Dioxigen in Model Cobalt(II) Hemes and Cobalt-Containing Hybrid Hemoglobins.. J. Phys. Chem. B, 101, 1997 , 8683-8691.
  17. A. I. Burshtein, N. V. Shokhirev. Viscosity and free energy dependence of photochemical charge separation.. J. Phys. Chem. A, 101, No 1, 1997 , 25-30.
  18. M. J. M. Nesset, N. V. Shokhirev, P. D. Enemark, S. E. Jacobson, F.A. Walker. Models of the Cytochromes. Redox properties and thermodynamic stabilities of Complexes of "Hindered" Iron(III) and Iron(II) Tetraphenylporphyrinates with Substituted Pyridines and Imidazoles.. Inorg. Chem., 35, 1996 , 5188-5200.
  19. T. Vesala, T. Ahonen, P. Hari, E. B. Krissinel', N. V. Shokhirev. Analysis of stomatal CO2 uptake by three-dimensional cylindrically symmetric model.. New Phytol., 132, No 2, 1996 , 235-245.
  20. F. A. Walker, H. Nasri, I. Turowska-Tyrk, K. Mohanrao, C. T. Watson, N. V. Shokhirev, P. G. Debrunner, W. R. Scheidt. Ligands in Iron(III) Porphyrinates. Characterezation of Low-Spin Bis(t-Butylisocyanide)(porphyrinato)iron(III) Complexes Having (dxzdyz)4(dxy)1 Ground State.. J. Am. Chem. Soc., 118, 1996 , 12109-12118.
  21. A. I. Kruppa, M. B. Taraban, N. V. Shokhirev, S. A. Svarovsky, T. V. Leshina. CIDNP: Calculation and experiment.. Chem. Phys. Lett., 258, No 1-2, 1996 , 316-322.
  22. T. H. Lay, L. N. Krasnoperov, C. A. Venanzi, J. W. Bozzelli, N. V. Shokhirev. Ab initio Study of a-Chlorinated Ethyl Hydroperoxides, CH3CH2OOH, CH3CHClOOH and CH3CCl2OOH: Conformational Analysis, Internal Rotation Barriers, Vibrational Frequencies, and Thermodynamic Properties.. J. Phys. Chem., 100, 1996 , 8240-8249.
  23. P. Basu, N. V. Shokhirev, J. H. Enemark, F. A. Walker. NMR studies of electron spin relaxation, magnetic anisotropy, hindered ligand rotation and curie behavior in some novel oxomolybdenum(V)/iron(III) porphyrinate complexes.. J. Inorg. Biochem., 59, No 2-3, 1995 , 479.
  24. T. Ahonen, M. Kulmala, P. Hari, T. Pohja, E. Krissinel', N. V. Shokhirev, A. A. Luzhnikov. Experimental and numerical analysis of stomatal absorption of sulfur dioxide and transpiration by pine needles.. Atmos. Env., 29, No 7, 1995 , 825-836.
  25. N. V. Shokhirev, F. A. Walker. Analysis of the temperature dependence of the 1H contact shifts in low-spin Fe(III) model hemes and heme proteins: explanation of "Curie" and "anti-Curie" behavior within the same molecule.. J. Phys. Chem., 99, 1995 , 17795-17804.
  26. P. Basu, N. V. Shokhirev, J. H. Enemark, F. A. Walker. NMR studies of Electron spin relaxation, Magnetic anisotropy, hindered ligand rotation, Curie behavior and ligand exchange in some novel oxomolybdemum(V)/iron(III) porphyrinate complexes.. J. Am. Chem. Soc., 117, 1995 , 9042-9055.
  27. A. M. Raitsimring, P. Basu, N. V. Shokhirev, J. H. Enemark. EPR studies of weakly coupled oxomolybdenum (V) and low-spin iron (III) porphyrin centers.. Appl. Magn. Reson., 99, 1995 , 173-192.
  28. N. V. Shokhirev, E. B. Krissinel'. Simple analytical approach to the description of flash-CIDNP formation for Ion-Radicals.. Chem. Phys. Lett., 236, 1995 , 247-252.
  29. V. V. Korolev, V. V. Bolotsky, N. V. Shokhirev, E. B. Krissinel', V. A. Bagryansky, N. M. Bazhin. Diffusion of molecular oxigen in glassy matrices, studied by luminescence quenching.. Chem. Phys., 196, No 1-2, 1995 , 317-325.
  30. P. A. Frantsuzov, N. V. Shokhirev, A. A. Zharikov. Nonstationary kinetics of noncontact electron transfer.. Chem. Phys. Lett., 236, No 1-2, 1995 , 30-36.
  31. H. Tan, U. Simonis, N. V. Shokhirev, F. A. Walker. Substituent effects on the orbital preferred for electron spin delocalization in two paramagnetic low-spin iron(III) porphyrins: mapping the spin density distribution at the pyrrole positions by 1H COSY and NOESY techniques.. J. Am. Chem. Soc., 116, No 13, 1994 , 5784-5790.
  32. A. I. Kalugin, V. V. Konovalov, N. V. Shokhirev, A. M. Raitsimring. Photoelectron injection into diluted electrolyte solutions. I. Methodology.. J. Electroanalytical Chem., 359, 1993 , 63-80.
  33. N. V. Shokhirev, A. A. Zharikov, E. B. Krissinel'. Analytical treatment of magnetic field effects in contact geminate recombination of radical ion pairs in solutions of arbitrary polarity.. J. Chem. Phys., 99, No 4, 1993 , 2643-2653.
  34. A. A. Zharikov, N. V. Shokhirev. Upper and lower bounds for the rate constant of bimolecular reactions: Integral approximation method.. Chem. Phys. Lett., 190, No 5, 1992 , 423-429.
  35. A. I. Burshtein, A. A. Zharikov,N. V. Shokhirev. Static and contact electron transfer within photoinduced geminate ion pairs.. J. Chem. Phys., 96, 1992 , 1951-1956.
  36. A. A. Zharikov, N. V. Shokhirev. The influence of solvent polarity and viscosity on magnetic effects in geminate recombination. Balance approximation.. Z. Phys. Chem., 117, 1992 , 37-61.
  37. V. S. Bashurova, K. P. Koutsenogii, A. Yu. Pusep, N. V. Shokhirev. Determination of atmospheric aerosol size distribution functions from screen diffusion battery data: Mathematical aspects.. J. Aerosol Sci., 22, 1991 , 373-388.
  38. N. V. Shokhirev, A. I. Burshtein. The Change in Density and Pressure Tensor at the Liquid-Vapor Interface.. Prog. Colloid Polym. Sci., 84, 1991 , 285-287.
  39. N. V. Shokhirev, E. C. Korolenko, M. B. Taraban, T. V. Leshina. Anomalous magnetic effects. The role of association in the recombination of singlet radical pairs in liquids.. Chem. Phys., 154, 1991 , 237-244.
  40. E. C. Korolenko, N. V. Shokhirev. Spin-controlled reactions on the micellar surface.. Prog. Colloid Polym. Sci., 84, 1991 , 112-114.
  41. O. B. Spirina, N. V. Shokhirev. A semiempirical method for the calculation of potential surface of reaction CH3 + CH4 = CH4 + CH3.. Theor. Exper. Chem., 27, 1991 , 499-506.
  42. A. I. Burshtein, A. A. Zharikov, N. V. Shokhirev, O. B. Spirina, E. B. Krissinel'. Kinetic and diffusional control of geminate recombination.. J. Chem. Phys., 95, 1991 , 8013-8021.
  43. A. A. Zharikov, N. V. Shokhirev. Analytical treatment of the contact geminate charge recombination in solution of arbitrary polarity.. Chem. Phys. Lett., 186, 1991 , 253-263.
  44. E. B. Krissinel', N. V. Shokhirev. The influence of Coulomb and exchange interactions and of reactivity on recombination kinetics and CIDEP of geminate radical pairs.. Chem. Phys., 143, No 1, 1990 , 67-74.
  45. A. I. Kalugin, V. V. Konovalov, E. B. Krissinel', A. M. Raitsimring, N. V. Shokhirev. Photoinjection of electrons in diluted solutions of electrolytes.. Elektrokhimiya, 26, 1990 , 635-642.
  46. N. V. Shokhirev, E. B. Krissinel', K. M. Salikhov. The influence of singlet-triplet transitions on non-stationary kinetics of radical recombination in homogeneous solutions. 1.General theory and analytical model treatment.. Chem. Phys., 137, 1989 , 197-205.
  47. E. B. Krissinel', N. V. Shokhirev, K. M. Salikhov. The influence of singlet-triplet transitions on non-stationary kinetics of radical recombination in homogeneous solutions. 2.Numerical case studies.. Chem. Phys., 137, 1989 , 207-219.
  48. Yu. A. Rosenberg, N. V. Shokhirev. Forbidden Bragg reflections and the spatial electron distribution in crystals of diamond.. Sov. Phys. Crystallog., 34, 1989 , 936-937.
  49. E. C. Korolenko, N. V. Shokhirev, K. M. Salikhov, R. Z. Sagdeev. Low-field CIDNP manifestation of the minor recombination channel via the triplet state of radical pairs.. Chem. Phys., 131, 1989 , 315-324.
  50. N. V. Shokhirev, S. F. Bychkov, A. M. Raitsimring. The recombination of the charges in the many-particle clusters.. High Energy Chem., 23, 1989 , 27-32.
  51. W. Stiller, R. Schmidt, E. Müller, N. V. Shokhirev. Some remarks on Arrhenius activation energies.. Z. phys. Chem. Neue Folge, 162, 1989 , 119-123.
  52. N. V. Shokhirev, E. C. Korolenko. The influence of the extent of chemical transformation region on magnetic and spin effects in ion-radical pair recombination.. Khim. Fiz., 79, 1988 , 1629-1636.
  53. S. F. Bychkov, N. V. Shokhirev, A. M. Raitsimring. Charge recombination in clusters.. Latvijas Zinatnu Akad.Vestis.Fiz.Teh.Ser., No 1, 1988 , 89-97.
  54. W. Naumann, N. V. Shokhirev, A. B. Doktorov. To the effect of time dependent kinematic and reactive properties of reactants on their bimolecular reactions.. Chem. Phys., 119, 1988 , 223-240.
  55. E. C. Korolenko, N. V. Shokhirev, T. V. Leshina. CIDNP of radical ion pairs in arbitrary magnetic fields.. Chem. Phys., 116, 1987 , 45-52.
  56. N. V. Shokhirev, Yu. A. Rosenberg, L. I. Kleschinsky, L. G. Andrievskaya. The use of bond functions for calculating the structure factors of diamond-like crystals.. J. Struct. Chem., 28, 1987 , 131-133.
  57. Yu. A. Rosenberg, L. I. Kleschinsky, N. V. Shokhirev, A. I. Kolosovskii, V. I. Sizykh, Yu. M. Rotner. Temperature dependence of the forbidden Bragg 222 reflection in diamond and Debye-Waller factor of valence electrons.. Sov. Phys. Solid State, 29, 1987 , 710-711.
  58. A. I. Kruppa, T. V. Leshina, R. Z. Sagdeev, E. C. Korolenko, N. V. Shokhirev. Low-field CIDNP study of photoinduced electron transfer reactions.. Chem. Phys., 114, 1987 , 95-101.
  59. N. V. Shokhirev, K. M. Salikhov. Analysis of influence of spin relaxation on form of NMR spectra in liquids with radiofrequency pumping.. Theor. Exper. Chem., 23, 1987 , 407-414.
  60. N. V. Shokhirev, A. M. Raitsimring, L. A. Rapatsky. Electron-ion pair distance distribution functions reconstructed from radiation-chemical and photochemical experiments.. Chem. Phys., 105, No 1-2, 1986 , 117-126.
  61. A. Yu. Pusep, N. V. Shokhirev. Determination of particle-size distribution functions in aerosols from measurements by diffusion batteries.. Colloid J., 48, 1986 , 108-113.
  62. Yu. A. Rosenberg, L. I. Kleschinsky, N. V. Shokhirev, L. G. Andrievska. Use of forbidden Bragg reflections in determination of the spatial distribution of electrons in V3Si below Tc.. Sov. Phys. Solid State, 28, 1986 , 172-173.
  63. Yu. A. Rosenberg, I. L. Lunev, V. M. Kiselev, L. I. Kleshchinskii, N. V. Shokhirev, L. G. Bochkareva, T. I. Pron'kina. X-ray diffraction monitoring of the stoichiometry of tin dioxide.. Sov. Phys. Crystallog., 30, 1985 , 691-692.
  64. Yu. A. Rosenberg, I. L. Lunev, V. M. Kiselev, L. G. Andrievskaya, N. V. Shokhirev, L. I. Kleshinsky. On the control of stoichiometry in SnO2 by means of anionic reflections. Communicated abstracts of XIII International Congress of International Union of Crystallography.. Acta Crystallogr. A, 40s, 1984 , C-205.
  65. N. V. Shokhirev, Yu. A. Rosenberg, I. L. Lunev, L. G. Andrievskaya, L. I. Kleshinsky. On the singular expansion method applied to the analysis of a diffraction line shape. Communicated abstracts of XIII International Congress of International Union of Crystallography.. Acta Crystallogr. A, 40s, 1984 , C-436.
  66. Yu. A. Rosenberg, A. I. Kolosovsky, V. M. Kiselev, I. L. Feldman, N. V. Shokhirev, L. I. Kleshinsky. The spectral dependence of integrated reflecting powers of Bragg reflections in diamond structure crystals of different perfection. Communicated abstracts of XIII International Congress of International Union of Crystallography.. Acta Crystallogr. A, 40s, 1984 , C-333.
  67. A. Yu. Pusep, N. V. Shokhirev. Application of a singular expansion for analyzing spectroscopic inverse problems.. Opt. Spectrosc., 57, 1984 , 482-486.
  68. N. V. Shokhirev, V. V. Konovalov, A. Yu. Pusep, A. M. Raitsimring. Recovering the e-aq distribution in Photoemission.. Theor. Exper. Chem., 20, 1984 , 316-321.
  69. N. V. Shokhirev, P. V. Schastnev. Model study of ligand-substitution reactions in octahedral complexes of transition metals by the CNDO method.. Sov. J. Coord. Chem., 6, 1980 , 580-584.
  70. A. I. Burshtein, N. V. Shokhirev. The change of density and pressure tensor at the liquid-vapor interface.. Russ. J. Phys. Chem., 53, 1979 , 1389-1394.
  71. N. V. Shokhirev, P. V. Schastnev. Ligand interaction in octahedral complexes. Model MO study.. Sov. J. Coord. Chem., 5, 1979 , 898-903.
  72. A. I. Burshtein, L. S. Veksler, N. V. Shokhirev. Origin and position of the extremal values of the intermolecular interaction in simple liquids.. J. Struct. Chem., 18, 1978 , 384-398.
  73. N. V. Shokhirev, P. V. Schastnev. Study of the influence of the choice of transition metal parameters in CNDO method on the calculated physicochemical properties of their hydrate complexes.. J. Struct. Chem., 19, 1978 , 186-190.
  74. N. V. Shokhirev, P. V. Schastnev. Study by the CNDO method of the structure of the contributions to the s-bond energy for the case of the hydrate complexes of the metals of the first transition series.. J. Struct. Chem., 19, 1978 , 191-198.
  75. N. V. Shokhirev, P. V. Schastnev. Model CNDO study of the influence of the electronegativity of ligands on the delocalization of spin density in. J. Struct. Chem., 17, 1976 , 530-533.

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