Publications

I. Vorona, S. Ishchenko, S. Okulov, and T. Petrenko. New possibility of retrospective EPR dosimetry. emiconductor Physics, Quantum Electronics & Optoelectronic, (3)2:219-222, 2000. [PUMA: myown] URL

V.Ya. Bratus', M.Ya. Valakh, I.P. Vorona, T.T. Petrenko, V.A. Yukhimchuk, P.L.F. Hemment, and T. Komoda. Photoluminescence and paramagnetic defects in silicon-implanted silicon dioxide layers. Journal of Luminescence, (80)1:269-273, 1998. [PUMA: myown] URL

V.Ya. Bratus, I.N. Makeeva, S.M. Okulov, T.L. Petrenko, T.T. Petrenko, and Hans Jürgen von Bardeleben. EPR Study of Carbon Vacancy-Related Defects in Electron-Irradiated 6H-SiC. Silicon Carbide and Related Materials 2000, (353):517--520, Trans Tech Publications Ltd, January 2001. [PUMA: myown]

V. Ya. Bratus', V. A. Yukhimchuk, L. I. Berezhinsky, M. Ya. Valakh, I. P. Vorona, I. Z. Indutnyi, T. T. Petrenko, P. E. Shepeliavyi, and I. B. Yanchuk. Structural transformations and silicon nanocrystallite formation in SiOx films. Semiconductors, (35)7:821--826, Jul 1, 2001. [PUMA: myown] URL

T.T. Petrenko, T.L. Petrenko, V.Ya. Bratus, and J.L. Monge. Calculation of hyperfine parameters of positively charged carbon vacancy in SiC. Physica B: Condensed Matter, (308-310):637-640, 2001. [PUMA: myown] URL

V.Ya. Bratus, I.N. Makeeva, S.M. Okulov, T.L. Petrenko, T.T. Petrenko, and H.J. von Bardeleben. Positively charged carbon vacancy in 6H–SiC: EPR study. Physica B: Condensed Matter, (308-310):621-624, 2001. [PUMA: myown] URL

T.T Petrenko, T.L Petrenko, V.Ya Bratus’, and J.L Monge. Symmetry, spin state and hyperfine parameters of vacancies in cubic SiC. Applied Surface Science, (184)1:273-277, 2001. [PUMA: myown] URL

V.Ya Bratus’, T.T Petrenko, H.J von Bardeleben, E.V Kalinina, and A Hallén. Vacancy-related defects in ion-beam and electron irradiated 6H–SiC. Applied Surface Science, (184)1:229-236, 2001. [PUMA: myown] URL

T. T. Petrenko, T. L. Petrenko, and V. Ya. Bratus'. A negatively charged silicon vacancy in SiC: Spin polarization effects. Physics of the Solid State, (44)5:831--836, May 1, 2002. [PUMA: myown] URL

S Virko, T Petrenko, A Yaremko, R Wysokiński, and D Michalska. Density functional and ab initio studies of the molecular structures and vibrational spectra of metal triiodides, MI3 (M=As, Sb, Bi). Journal of Molecular Structure: THEOCHEM, (582)1:137-142, 2002. [PUMA: myown] URL

T. T. Petrenko, T. L. Petrenko, and V. Ya. Bratus. The carbon 100 split interstitial in SiC. 2002. [PUMA: myown]

V. Ya. Bratus', T. T. Petrenko, S. M. Okulov, and T. L. Petrenko. Positively charged carbon vacancy in three inequivalent lattice sites of $6H\ensuremath-SiC$: Combined EPR and density functional theory study. Phys. Rev. B, (71)12:125202, American Physical Society, March 2005. [PUMA: myown] URL

Taras Petrenko, Kallol Ray, Karl E. Wieghardt, and Frank Neese. Vibrational Markers for the Open-Shell Character of Transition Metal Bis-dithiolenes:~ An Infrared, Resonance Raman, and Quantum Chemical Study. Journal of the American Chemical Society, (128)13:4422--4436, American Chemical Society (ACS), April 2006. [PUMA: myown] URL

Frank Neese, Taras Petrenko, Dmitry Ganyushin, and Gottfried Olbrich. Advanced aspects of ab initio theoretical optical spectroscopy of transition metal complexes: Multiplets, spin-orbit coupling and resonance Raman intensities. Coordination Chemistry Reviews, (251)3:288-327, 2007. [PUMA: myown] URL

Taras Petrenko, Wolfgang Sturhahn, and Frank Neese. First-principles calculation of nuclear resonance vibrational spectra. Hyperfine Interactions, (175)1:165--174, Feb 1, 2007. [PUMA: myown] URL

Kallol Ray, Taras Petrenko, Karl Wieghardt, and Frank Neese. Joint spectroscopic and theoretical investigations of transition metal complexes involving non-innocent ligands. Dalton Trans., 16:1552-1566, The Royal Society of Chemistry, 2007. [PUMA: myown] URL

Taras Petrenko, Serena DeBeer George, Núria Aliaga-Alcalde, Eckhard Bill, Bernd Mienert, Yuming Xiao, YiSong Guo, Wolfgang Sturhahn, Stephen P. Cramer, Karl Wieghardt, and Frank Neese. Characterization of a Genuine Iron(V)-Nitrido Species by Nuclear Resonant Vibrational Spectroscopy Coupled to Density Functional Calculations. Journal of the American Chemical Society, (129)36:11053--11060, American Chemical Society (ACS), September 2007. [PUMA: myown] URL

Taras Petrenko, and Frank Neese. Analysis and prediction of absorption band shapes, fluorescence band shapes, resonance Raman intensities, and excitation profiles using the time-dependent theory of electronic spectroscopy. J. Chem. Phys., (127)16:164319--, American Institute of Physics, October 2007. [PUMA: myown] URL

Serena DeBeer George, Taras Petrenko, and Frank Neese. Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra. Inorganica Chimica Acta, (361)4:965-972, 2008. [PUMA: myown] URL

Serena DeBeer George, Taras Petrenko, and Frank Neese. Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory. The Journal of Physical Chemistry A, (112)50:12936--12943, American Chemical Society (ACS), August 2008. [PUMA: myown] URL