Department of Chemistry
W. R. Duncan and O. V. Prezhdo, “Theoretical studies of photoinduced electron transfer in dye-sensitized TiO2”, Invited Review for Ann. Rev. Phys. Chem., in press.
O. V. Prezhdo, “A quantum-classical bracket that satisfies the Jacobi identity”, J. Chem. Phys. – Rapid. Comm., 124, 201104 (2006).
A. V. Luzanov and O. V. Prezhdo, “Analysis of multiconfiguratinal wavefunctions in terms of hole-particle distributions”, J. Chem. Phys., 124, 224109 (2006).
Yu. V. Pereverzev, O. V. Prezhdo, “Force-induced deformations and stability of biological bonds”, Phys. Rev. E. 73, 050902 (2006); Virtual J. of Bio. Phys. Research, June 1, 2006.
W. R. Duncan, O. V. Prezhdo, “Nonadiabatic molecular dynamics study of electron transfer from alizarin to the hydrated Ti4+ ion”, J. Phys. Chem. B., 109, 17998 (2005).
Yu. V. Pereverzev, O. V. Prezhdo, W. E. Thomas, E. V. Sokurenko, “Distinctive features of the biological catch-bond in the jump-ramp force regime predicted by the two-pathway model”, Phys. Rev. E., 72, 010903 (2005).
Yu. V. Pereverzev, O. V. Prezhdo, M. Forero, W. E. Thomas, E. V. Sokurenko, “The two-pathway model for the catch-slip transition in biological adhesion”, Biophys. J., 89, 1446 (2005).
E. M. Heatwole, O. V. Prezhdo, “Second order quantized Hamilton dynamics coupled to classical heat bath”, J. Chem. Phys., 122, 234109 (2005).
O. V. Prezhdo, G. V. Tarasova, S. A. Tyurin, V. V. Prezhdo, “Lidar determination of altitude profile of the refraction index in electro-optical monitoring of the Earth atmosphere”, Measurement, 37, 251 (2005).
A. V. Luzanov, O. V. Prezhdo, “Irreducible charge density matrices for analysis of many-electron wavefunctions”, Int. J. Quant. Chem (invited special issue in honor of John Popple), 102, 583 (2005).
W. R. Duncan, O. V. Prezhdo, “Electronic structure and spectra of catechol and alizarin in gas phase and attached to TiO2”, J. Phys. Chem. B, 109, 365 (2005).
E. Heatwole, O. V. Prezhdo, “Canonical averaging in the second order quantized Hamilton dynamics”, J. Chem. Phys., 121, 10967 (2004).
D. Kilin, Yu. V. Pereverzev, O. V. Prezhdo, “Electron-nuclear correlations for photo-induced dynamics in molecular dimers”, J. Chem. Phys., 120, 11209 (2004).
W. Stier, W. R. Duncan, O. V. Prezhdo, “Thermally assisted sub 10 fs electron transfer in dye-sensitized nanocrystalline TiO2 solar cells”, Adv. Mat., 16, 240 (2004).
O. V. Prezhdo, I. V. Lysova, V. B. Distanov, V. V. Prezhdo, “Synthesis and scintillating efficiencies of 2,5 diarylthiazoles with intramolecular hydrogen bond”, Tetrahedron Lett. 45, 5291-5294 (2004).
A. V. Luzanov and O. V. Prezhdo, “Weyl representation for the permutation operators and exchange interaction”, Int. J. Quant. Chem., 96, 474 (2004).
C. Brooksby, O. V. Prezhdo, P. J. Reid, “Molecular dynamics study of the weakly solvent dependent relaxation dynamics following chlorine dioxide (OClO) photoexcitation”, J. Chem. Phys., 119, 9111-9120 (2003).
Yu. V. Pereverzev, O. V. Prezhdo, L. R. Dalton, “Structural origin of the enhanced electro-optic response of dendrimeric materials”, Chem. Phys. Lett., 373, 207-212 (2003).
C. Brooksby, O. V. Prezhdo, P. J. Reid, “Molecular dynamics simulation of OClO solvation in water”, J. Chem. Phys. 118, 4563-4572 (2003).
Yu. F. Pedash, V. B. Distanov, O. V. Prezhdo, V. V. Prezhdo, “Luminescence characteristics and structure of substituted 4-amino-N-aminonaphthalimids” J. Mol. Struct (Theochem), 626, 91-99 (2003).
O. A. Zhikol, A. F. Oshkalo, O. V. Shishkin and O. V. Prezhdo, “Non-nuclear attractors on Si-Si bond in quantum-chemical modeling as basis set inadequacy”, Chem. Phys. 288, 159-169 (2003).
W. Stier and O. V. Prezhdo, “The effect of thermal fluctuations on the light-induced electron transfer from an anchored molecular electron donor to a semiconductor acceptor”, Isr. J. Chem. 42, 213-224 (2003).
W. Stier and O. V. Prezhdo, “Non-adiabatic molecular dynamics simulation of light-induced electron transfer from an anchored molecular electron donor to a semiconductor acceptor”, J. Phys. Chem. B, 106, 8047 (2002).
Yu. V. Pereverzev, O. V. Prezhdo, L. R. Dalton, “A model of phase transitions in the system of electro-optical dipolar chromophores subject to an electric field”, J. Chem. Phys., 117, 3354 (2002).
O. V. Prezhdo, “Classical mapping for the second order quantized Hamilton dynamics”, J. Chem. Phys., 117, 2995 (2002).
Yu. F. Pedash, O. V. Prezhdo, S. I. Kotelevskiy and V. V. Prezhdo, “Spin¯orbit coupling and luminescence characteristics of conjugated organic molecules. I. Polyacenes”, J. Mol. Struct (Theochem), 585, 49-59 (2002).
E. Pahl and O. V. Prezhdo, “Extension of quantized Hamilton dynamics to higher orders”, J. Chem. Phys., 116, 8704 (2002).
O. V. Prezhdo, “Assessment of theoretical approaches to the evaluation of dipole moments of chromophores for non-linear optics'', Adv. Materials, 14, 597 (2002).
Yu. V. Pereverzev, O. V. Prezhdo, L. R. Dalton, “Sample shape influence on the antiferroelectric phase transitions in dipolar systems subject to an external field”, Phys. Rev. B, 65, 052104 (2002).
C. Brooksby and O. V. Prezhdo, “Quantized mean-field approximation”, Chem. Phys. Lett., 346, 463 (2001).
S. I. Kotelevskii, O. V. Prezhdo, “Aromaticity indices revisited: refinement and application to certain five-membered ring heterocycles”, Tetrahedron, 57, 5715-5729 (2001).
O. V. Prezhdo, C. Brooksby, “Quantum backreaction via the Bohmian particle”, Phys. Rev. Lett., 86, 3215 (2001).
O. V. Prezhdo, A. S. Bykova, V. V. Prezhdo, A. Koll, Z. Dashkiewicz, “Molecular structure and electronic properties of N-methyl-N-nitroaniline and its derivatives”, J. Mol. Struct., 559, 321 (2001).
O. V. Prezhdo, V. V. Prezhdo, “Application of the electro-optic Kerr effect to investigation of the intermolecular H-bond”, J.Mol.Struct 526 115-130 (2000).
O. V. Prezhdo, “Quantum anti-Zeno acceleration of a chemical reaction”, Phys. Rev. Lett. 85, 4413 (2000).
Yu. V. Pereverzev and O. V. Prezhdo, “Mean-field theory of acentric order of dipolar chromophores in polymeric electro-optic materials”, Phys. Rev. E, 62, 8324 (2000).
O. V. Prezhdo and Yu. V. Pereverzev, “Quantized Hamilton dynamics”, J. Chem. Phys. 113, 6557 (2000).
J. K. McBee, V. Kuksa, R. Alvarez, A. R. de Lera, O. Prezhdo, F. Haeseleer, I. Sokal and K. Palczewski, “Isomerization of all-trans-retinol to cis-retinols in bovine retinal pigment epithelial cell: dependence on the specificity of retinoid-binding proteins” Biochemistry 39, 11370 (2000).
V. V. Prezhdo, E. V. Ovsiankina, O. V. Prezhdo, “Confomational analysis of chloralkyl derivatives of 1,4-naphtoguinine”. J. Mol. Str., 522, 71 (2000).
O. V. Prezhdo, “Mean field approximation for the stochastic Schrodinger equation”, J. Chem. Phys., 111, 8366 (1999).
V. V. Prezhdo, E. V. Vaschenko, O. V. Prezhdo, A. Pushko, “Structure and properties of hydrogen bonded complexes of pytidine-N-oxide and its derivatives”, J. Mol. Struct., 510, 69 (1999).
O. V. Prezhdo, J. Kindt and J. C. Tully, “Characterization of electron transfer from the ground state properties of perturbed systems”, J. Chem. Phys., 111, 7818 (1999).
A. A. Mosyak, O. V. Prezhdo, P. J. Rossky, “The role of solvent modes in non-radiative relaxation of an excess electron in methanol. A semiclassical approach”, J. Mol. Struct., 485-486, 545 (1999).
V. V. Prezhdo, E. V. Vaschenko, O. V. Prezhdo and A. Puszko, “Molecular structure and electric properties of some pyridine and pyridine-N-oxide derivatives”, J. Mol. Struct., 471, 127 (1998).
O. V. Prezhdo and P. J. Rossky, “Quantum decoherence and short time solvent response in condensed phase non-adiabatic processes”, Phys. Rev. Lett., 81, 5294 (1998).
O. V. Prezhdo and P. J. Rossky, “Evaluation of quantum non-radiative transition rates from quantum-classical non-adiabatic molecular dynamics simulations”, J. Chem. Phys., 107, 5863 (1997).
O. V. Prezhdo and P. J. Rossky, “Mean field molecular dynamics with surface hopping”, J. Chem. Phys., 107, 825 (1997).
O. V. Prezhdo and V. V. Kisil, “Mixing quantum and classical mechanics” Phys. Rev. A, 56, 162 (1997).
O. V. Prezhdo and P. J. Rossky, “Solvent mode participation in the non-radiative relaxation of the hydrated electron”, J. Phys. Chem., 100, 17094 (1996).
B. J. Schwartz, E. R. Bittner, O. V. Prezhdo, P. J. Rossky, “Quantum decoherence and the isotope effect in condensed phase non-adiabatic molecular dynamics simulations”, J. Chem. Phys., 104, 5942 (1996).
Back to Research Interests
Back to Research Interests
Alfred P. Sloan Fellowship
NSF-Career Award
Research Innovation Award from Research Corporation
The Camille and Henry Dreyfus New Faculty Award
Hemphill/Gilmore Fellowship
Outstanding Dissertation Award, University of Texas at Austin
Welch Award, UT-Austin
Mendeleev Award, Kharkov University, Ukraine