Petrenko T - Search Results

1

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

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

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

4

A new quantum chemical approach to the magnetic properties of oligonuclear transition-metal complexes: application to a model for the tetranuclear manganese cluster of photosystem II.

Pantazis DA, Orio M, Petrenko T, Zein S, Bill E, Lubitz W, Messinger J, Neese F. Pantazis DA, et al. Among authors: petrenko t. Chemistry. 2009;15(20):5108-23. doi: 10.1002/chem.200802456. Chemistry. 2009. PMID: 19326375

5

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

6

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

7

Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(IV) complexes.

Ye S, Xue G, Krivokapic I, Petrenko T, Bill E, Que L Jr, Neese F. Ye S, et al. Among authors: petrenko t. Chem Sci. 2015 May 1;6(5):2909-2921. doi: 10.1039/C4SC03268C. Epub 2015 Feb 26. Chem Sci. 2015. PMID: 26417426 Free PMC article.

8

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

9

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. Orio M, et al. Among authors: petrenko t. Inorg Chem. 2009 Aug 3;48(15):7251-60. doi: 10.1021/ic9005899. Inorg Chem. 2009. PMID: 19722694

10

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

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