Petrenko T - Search Results

1

A step beyond the Feltham-Enemark notation: spectroscopic and correlated ab initio 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. Tomson NC, et al. Among authors: petrenko t. J Am Chem Soc. 2011 Nov 23;133(46):18785-801. doi: 10.1021/ja206042k. Epub 2011 Nov 2. J Am Chem Soc. 2011. PMID: 22047035

2

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. Petrenko T, et al. J Am Chem Soc. 2006 Apr 5;128(13):4422-36. doi: 10.1021/ja0578451. J Am Chem Soc. 2006. PMID: 16569020

3

Characterization of a genuine iron(V)-nitrido species by nuclear resonant vibrational spectroscopy coupled to density functional calculations.

Petrenko T, DeBeer George S, Aliaga-Alcalde N, Bill E, Mienert B, Xiao Y, Guo Y, Sturhahn W, Cramer SP, Wieghardt K, Neese F. Petrenko T, et al. J Am Chem Soc. 2007 Sep 12;129(36):11053-60. doi: 10.1021/ja070792y. Epub 2007 Aug 21. J Am Chem Soc. 2007. PMID: 17711275

4

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, Weyhermüller T, Wieghardt K. Benedito FL, et al. Among authors: petrenko t. Inorg Chem. 2009 Dec 7;48(23):10913-25. doi: 10.1021/ic9008976. Inorg Chem. 2009. PMID: 19831364

5

Joint spectroscopic and theoretical investigations of transition metal complexes involving non-innocent ligands.

Ray K, Petrenko T, Wieghardt K, Neese F. Ray K, et al. Among authors: petrenko t. Dalton Trans. 2007 Apr 28;(16):1552-66. doi: 10.1039/b700096k. Epub 2007 Mar 26. Dalton Trans. 2007. PMID: 17426855

6

Probing valence orbital composition with iron Kbeta X-ray emission spectroscopy.

Lee N, Petrenko T, Bergmann U, Neese F, DeBeer S. Lee N, et al. Among authors: petrenko t. J Am Chem Soc. 2010 Jul 21;132(28):9715-27. doi: 10.1021/ja101281e. J Am Chem Soc. 2010. PMID: 20578760

7

Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelization.

Petrenko T, Kossmann S, Neese F. Petrenko T, et al. J Chem Phys. 2011 Feb 7;134(5):054116. doi: 10.1063/1.3533441. J Chem Phys. 2011. PMID: 21303101

8

Efficient and automatic calculation of optical band shapes and resonance Raman spectra for larger molecules within the independent mode displaced harmonic oscillator model.

Petrenko T, Neese F. Petrenko T, et al. J Chem Phys. 2012 Dec 21;137(23):234107. doi: 10.1063/1.4771959. J Chem Phys. 2012. PMID: 23267471

9

Structure of the oxygen-evolving complex of photosystem II: information on the S(2) state through quantum chemical calculation of its magnetic properties.

Pantazis DA, Orio M, Petrenko T, Zein S, Lubitz W, Messinger J, Neese F. Pantazis DA, et al. Among authors: petrenko t. Phys Chem Chem Phys. 2009 Aug 21;11(31):6788-98. doi: 10.1039/b907038a. Epub 2009 Jun 23. Phys Chem Chem Phys. 2009. PMID: 19639153

10

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. Shafaat HS, et al. Among authors: petrenko t. Inorg Chem. 2012 Nov 5;51(21):11787-97. doi: 10.1021/ic3017276. Epub 2012 Oct 5. Inorg Chem. 2012. PMID: 23039071

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