| 1 |
VCI Calculations Based on Canonical and Localized Normal Coordinates for Non-Abelian Molecules: Accurate Assignment of the Vibrational Overtones of Allene
Mathea T, Petrenko T, Rauhut G
Journal of Physical Chemistry A, 125(4), 990, 2021 |
| 2 |
Key Hydride Vibrational Modes in [NiFe] Hydrogenase Model Compounds Studied by Resonance Raman Spectroscopy and Density Functional Calculations
Shafaat HS, Weber K, Petrenko T, Neese F, Lubitz W
Inorganic Chemistry, 51(21), 11787, 2012 |
| 3 |
A Step beyond the Feltham-Enennark Notation: Spectroscopic and Correlated ab lnitio Computational Support for an Antiferromagnetically Coupled M(II)-(NO)(-) Description of Tp*M(NO) (M = Co, Ni)
Tomson NC, Crimmin MR, Petrenko T, Rosebrugh LE, Sproules S, Boyd WC, Bergman RG, DeBeer S, Toste FD, Wieghardt K
Journal of the American Chemical Society, 133(46), 18785, 2011 |
| 4 |
Probing Valence Orbital Composition with Iron K beta X-ray Emission Spectroscopy
Lee N, Petrenko T, Bergmann U, Neese F, DeBeer S
Journal of the American Chemical Society, 132(28), 9715, 2010 |
| 5 |
Magnetic and Spectroscopic Properties of Mixed Valence Manganese(III,IV) Dimers: A Systematic Study Using Broken Symmetry Density Functional Theory
Orio M, Pantazis DA, Petrenko T, Neese F
Inorganic Chemistry, 48(15), 7251, 2009 |
| 6 |
Square Planar Bis{3,6-bis(trimethylsilyl)benzene-1,2-dithiolato}metal Complexes of Cr-II, Co-III, and Rh-II: An Experimental and Density Functional Theoretical Study
Benedito FL, Petrenko T, Bill E, Weyhermuller T, Wieghardt K
Inorganic Chemistry, 48(23), 10913, 2009 |
| 7 |
Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory
George SD, Petrenko T, Neese F
Journal of Physical Chemistry A, 112(50), 12936, 2008 |
| 8 |
Characterization of a genuine lron(V)-nitrido species by nuclear resonant vibrational spectroscopy coupled to density functional calculations
Petrenko T, George SD, Aliaga-Alcalde N, Bill E, Mienert B, Xiao Y, Guo Y, Sturhahn W, Cramer SP, Wieghardt K, Neese F
Journal of the American Chemical Society, 129(36), 11053, 2007 |
| 9 |
Vibrational markers for the open-shell character of transition metal bis-dithiolenes: An infrared, resonance Raman, and quantum chemical study
Petrenko T, Ray K, Wieghardt KE, Neese F
Journal of the American Chemical Society, 128(13), 4422, 2006 |
