Pantazis DA - Search Results

1

Decoding the Ambiguous Electron Paramagnetic Resonance Signals in the Lytic Polysaccharide Monooxygenase from Photorhabdus luminescens.

Gómez-Piñeiro RJ, Drosou M, Bertaina S, Decroos C, Simaan AJ, Pantazis DA, Orio M. Gómez-Piñeiro RJ, et al. Among authors: pantazis da. Inorg Chem. 2022 May 23;61(20):8022-8035. doi: 10.1021/acs.inorgchem.2c00766. Epub 2022 May 12. Inorg Chem. 2022. PMID: 35549254 Free PMC article.

2

Density functional theory.

Orio M, Pantazis DA, Neese F. Orio M, et al. Among authors: pantazis da. Photosynth Res. 2009 Nov-Dec;102(2-3):443-53. doi: 10.1007/s11120-009-9404-8. Photosynth Res. 2009. PMID: 19238578 Free PMC article. Review.

3

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. Chemistry. 2009;15(20):5108-23. doi: 10.1002/chem.200802456. Chemistry. 2009. PMID: 19326375

4

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. 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

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

6

Trinuclear terpyridine frustrated spin system with a Mn(IV)3O4 core: synthesis, physical characterization, and quantum chemical modeling of its magnetic properties.

Baffert C, Orio M, Pantazis DA, Duboc C, Blackman AG, Blondin G, Neese F, Deronzier A, Collomb MN. Baffert C, et al. Among authors: pantazis da. Inorg Chem. 2009 Nov 2;48(21):10281-8. doi: 10.1021/ic901409y. Inorg Chem. 2009. PMID: 19795871

7

Theoretical magnetochemistry of dinuclear manganese complexes: broken symmetry density functional theory investigation on the influence of bridging motifs on structure and magnetism.

Pantazis DA, Krewald V, Orio M, Neese F. Pantazis DA, et al. Dalton Trans. 2010 May 28;39(20):4959-67. doi: 10.1039/c001286f. Epub 2010 Apr 23. Dalton Trans. 2010. PMID: 20419188

8

A first-principles approach to the calculation of the on-site zero-field splitting in polynuclear transition metal complexes.

Retegan M, Cox N, Pantazis DA, Neese F. Retegan M, et al. Among authors: pantazis da. Inorg Chem. 2014 Nov 3;53(21):11785-93. doi: 10.1021/ic502081c. Epub 2014 Oct 23. Inorg Chem. 2014. PMID: 25340874

9

Characterization of Oxygen Bridged Manganese Model Complexes Using Multifrequency (17)O-Hyperfine EPR Spectroscopies and Density Functional Theory.

Rapatskiy L, Ames WM, Pérez-Navarro M, Savitsky A, Griese JJ, Weyhermüller T, Shafaat HS, Högbom M, Neese F, Pantazis DA, Cox N. Rapatskiy L, et al. Among authors: pantazis da. J Phys Chem B. 2015 Oct 29;119(43):13904-21. doi: 10.1021/acs.jpcb.5b04614. Epub 2015 Aug 26. J Phys Chem B. 2015. PMID: 26225537

10

Spin State as a Marker for the Structural Evolution of Nature's Water-Splitting Catalyst.

Krewald V, Retegan M, Neese F, Lubitz W, Pantazis DA, Cox N. Krewald V, et al. Among authors: pantazis da. Inorg Chem. 2016 Jan 19;55(2):488-501. doi: 10.1021/acs.inorgchem.5b02578. Epub 2015 Dec 23. Inorg Chem. 2016. PMID: 26700960 Review.

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