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Items: 1 to 50 of 106

1.

Meeting the Challenge of Magnetic Coupling in a Triply-Bridged Chromium Dimer: Complementary Broken-Symmetry DFT and Multireference DMRG Perspectives.

Pantazis DA.

J Chem Theory Comput. 2019 Jan 15. doi: 10.1021/acs.jctc.8b00969. [Epub ahead of print]

PMID:
30645093
2.

Systematic High-Accuracy Prediction of Electron Affinities for Biological Quinones.

Schulz CE, Dutta AK, Izsák R, Pantazis DA.

J Comput Chem. 2018 Nov 5;39(29):2439-2451. doi: 10.1002/jcc.25570. Epub 2018 Oct 3.

PMID:
30281169
3.

Accurate Spin-State Energetics for Aryl Carbenes.

Ghafarian Shirazi R, Neese F, Pantazis DA.

J Chem Theory Comput. 2018 Sep 11;14(9):4733-4746. doi: 10.1021/acs.jctc.8b00587. Epub 2018 Aug 28.

PMID:
30110157
4.

Ultra-Rapid serial visual presentation reveals dynamics of feedforward and feedback processes in the ventral visual pathway.

Mohsenzadeh Y, Qin S, Cichy RM, Pantazis D.

Elife. 2018 Jun 21;7. pii: e36329. doi: 10.7554/eLife.36329.

5.

Increased variability of stimulus-driven cortical responses is associated with genetic variability in children with and without dyslexia.

Centanni TM, Pantazis D, Truong DT, Gruen JR, Gabrieli JDE, Hogan TP.

Dev Cogn Neurosci. 2018 Nov;34:7-17. doi: 10.1016/j.dcn.2018.05.008. Epub 2018 May 26.

6.

Tracking the Spatiotemporal Neural Dynamics of Real-world Object Size and Animacy in the Human Brain.

Khaligh-Razavi SM, Cichy RM, Pantazis D, Oliva A.

J Cogn Neurosci. 2018 Nov;30(11):1559-1576. doi: 10.1162/jocn_a_01290. Epub 2018 Jun 7.

PMID:
29877767
7.

Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex.

Roemelt M, Krewald V, Pantazis DA.

J Chem Theory Comput. 2018 Jan 9;14(1):166-179. doi: 10.1021/acs.jctc.7b01035. Epub 2017 Dec 20.

PMID:
29211960
8.

Music and the brain - design of an MEG compatible piano.

Chacon-Castano J, Rathbone DR, Hoffman R, Heng Yang, Pantazis D, Yang J, Hornberger E, Hanumara NC.

Conf Proc IEEE Eng Med Biol Soc. 2017 Jul;2017:521-524. doi: 10.1109/EMBC.2017.8036876.

PMID:
29059924
9.

Differences in the Active Site of Water Oxidation among Photosynthetic Organisms.

Retegan M, Pantazis DA.

J Am Chem Soc. 2017 Oct 18;139(41):14340-14343. doi: 10.1021/jacs.7b06351. Epub 2017 Sep 27.

PMID:
28948784
10.

The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived μ-Hydroxo Bridge.

Lohmiller T, Krewald V, Sedoud A, Rutherford AW, Neese F, Lubitz W, Pantazis DA, Cox N.

J Am Chem Soc. 2017 Oct 18;139(41):14412-14424. doi: 10.1021/jacs.7b05263. Epub 2017 Oct 3.

PMID:
28921983
11.

Multivariate pattern analysis of MEG and EEG: A comparison of representational structure in time and space.

Cichy RM, Pantazis D.

Neuroimage. 2017 Sep;158:441-454. doi: 10.1016/j.neuroimage.2017.07.023. Epub 2017 Jul 14.

PMID:
28716718
12.

Decoding the orientation of contrast edges from MEG evoked and induced responses.

Pantazis D, Fang M, Qin S, Mohsenzadeh Y, Li Q, Cichy RM.

Neuroimage. 2018 Oct 15;180(Pt A):267-279. doi: 10.1016/j.neuroimage.2017.07.022. Epub 2017 Jul 13.

PMID:
28712993
13.

Hearing Scenes: A Neuromagnetic Signature of Auditory Source and Reverberant Space Separation.

Teng S, Sommer VR, Pantazis D, Oliva A.

eNeuro. 2017 Mar 1;4(1). pii: ENEURO.0007-17.2017. doi: 10.1523/ENEURO.0007-17.2017. eCollection 2017 Jan-Feb.

14.
15.

What Can We Learn from a Biomimetic Model of Nature's Oxygen-Evolving Complex?

Paul S, Cox N, Pantazis DA.

Inorg Chem. 2017 Apr 3;56(7):3875-3888. doi: 10.1021/acs.inorgchem.6b02777. Epub 2017 Mar 14.

PMID:
28291351
16.

Understanding and tuning the properties of redox-accumulating manganese helicates.

Krewald V, Pantazis DA.

Dalton Trans. 2016 Nov 29;45(47):18900-18908.

PMID:
27774547
17.

Second-language learning effects on automaticity of speech processing of Japanese phonetic contrasts: An MEG study.

Hisagi M, Shafer VL, Miyagawa S, Kotek H, Sugawara A, Pantazis D.

Brain Res. 2016 Dec 1;1652:111-118. doi: 10.1016/j.brainres.2016.10.004. Epub 2016 Oct 6.

PMID:
27720855
18.

Systematic review on T3 laryngeal squamous cell carcinoma; still far from a consensus on the optimal organ preserving treatment.

Riga M, Chelis L, Danielides V, Vogiatzaki T, Pantazis TL, Pantazis D.

Eur J Surg Oncol. 2017 Jan;43(1):20-31. doi: 10.1016/j.ejso.2016.05.030. Epub 2016 Jun 10. Review.

PMID:
27320417
19.

Comparison of deep neural networks to spatio-temporal cortical dynamics of human visual object recognition reveals hierarchical correspondence.

Cichy RM, Khosla A, Pantazis D, Torralba A, Oliva A.

Sci Rep. 2016 Jun 10;6:27755. doi: 10.1038/srep27755.

20.

Similarity-Based Fusion of MEG and fMRI Reveals Spatio-Temporal Dynamics in Human Cortex During Visual Object Recognition.

Cichy RM, Pantazis D, Oliva A.

Cereb Cortex. 2016 Aug;26(8):3563-3579. doi: 10.1093/cercor/bhw135. Epub 2016 May 27.

21.

Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches.

Isegawa M, Neese F, Pantazis DA.

J Chem Theory Comput. 2016 May 10;12(5):2272-84. doi: 10.1021/acs.jctc.6b00252. Epub 2016 Apr 25.

PMID:
27065224
22.

Dynamics of scene representations in the human brain revealed by magnetoencephalography and deep neural networks.

Martin Cichy R, Khosla A, Pantazis D, Oliva A.

Neuroimage. 2017 Jun;153:346-358. doi: 10.1016/j.neuroimage.2016.03.063. Epub 2016 Apr 1.

23.

Recent developments in biological water oxidation.

Pérez-Navarro M, Neese F, Lubitz W, Pantazis DA, Cox N.

Curr Opin Chem Biol. 2016 Apr;31:113-9. doi: 10.1016/j.cbpa.2016.02.007. Epub 2016 Mar 17. Review.

PMID:
26994742
24.

Repetitive transcranial magnetic stimulation of the dorsolateral prefrontal cortex enhances working memory.

Bagherzadeh Y, Khorrami A, Zarrindast MR, Shariat SV, Pantazis D.

Exp Brain Res. 2016 Jul;234(7):1807-1818. doi: 10.1007/s00221-016-4580-1. Epub 2016 Feb 16.

PMID:
26884132
25.

Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides.

Aravena D, Neese F, Pantazis DA.

J Chem Theory Comput. 2016 Mar 8;12(3):1148-56. doi: 10.1021/acs.jctc.5b01048. Epub 2016 Feb 17.

PMID:
26839966
26.

Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analogues.

Krewald V, Neese F, Pantazis DA.

Phys Chem Chem Phys. 2016 Apr 28;18(16):10739-50. doi: 10.1039/c5cp07213a.

PMID:
26762578
27.

A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding.

Retegan M, Krewald V, Mamedov F, Neese F, Lubitz W, Cox N, Pantazis DA.

Chem Sci. 2016 Jan 1;7(1):72-84. doi: 10.1039/c5sc03124a. Epub 2015 Nov 17.

28.

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.

Inorg Chem. 2016 Jan 19;55(2):488-501. doi: 10.1021/acs.inorgchem.5b02578. Epub 2015 Dec 23. Review.

PMID:
26700960
29.

How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II.

Beckwith MA, Ames W, Vila FD, Krewald V, Pantazis DA, Mantel C, Pécaut J, Gennari M, Duboc C, Collomb MN, Yano J, Rehr JJ, Neese F, DeBeer S.

J Am Chem Soc. 2015 Oct 14;137(40):12815-34. doi: 10.1021/jacs.5b00783. Epub 2015 Sep 29.

PMID:
26352328
30.

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.

J Phys Chem B. 2015 Oct 29;119(43):13904-21. doi: 10.1021/acs.jpcb.5b04614. Epub 2015 Aug 26.

PMID:
26225537
31.

Can visual information encoded in cortical columns be decoded from magnetoencephalography data in humans?

Cichy RM, Ramirez FM, Pantazis D.

Neuroimage. 2015 Nov 1;121:193-204. doi: 10.1016/j.neuroimage.2015.07.011. Epub 2015 Jul 8.

PMID:
26162550
32.

Principles of Natural Photosynthesis.

Krewald V, Retegan M, Pantazis DA.

Top Curr Chem. 2016;371:23-48. doi: 10.1007/128_2015_645. Review.

PMID:
26099285
33.

Calcium and heterometallic manganese-calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations.

Gerey B, Gennari M, Gouré E, Pécaut J, Blackman A, Pantazis DA, Neese F, Molton F, Fortage J, Duboc C, Collomb MN.

Dalton Trans. 2015 Jul 28;44(28):12757-70. doi: 10.1039/c5dt01776a.

PMID:
26089197
34.

Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol.

Gennari M, Brazzolotto D, Pécaut J, Cherrier MV, Pollock CJ, DeBeer S, Retegan M, Pantazis DA, Neese F, Rouzières M, Clérac R, Duboc C.

J Am Chem Soc. 2015 Jul 8;137(26):8644-53. doi: 10.1021/jacs.5b04917. Epub 2015 Jun 29.

PMID:
26076066
35.

Artificial photosynthesis: understanding water splitting in nature.

Cox N, Pantazis DA, Neese F, Lubitz W.

Interface Focus. 2015 Jun 6;5(3):20150009. doi: 10.1098/rsfs.2015.0009. Review.

36.

Glottic and supraglottic pT3 squamous cell carcinoma: outcomes with transoral laser microsurgery.

Pantazis D, Liapi G, Kostarelos D, Kyriazis G, Pantazis TL, Riga M.

Eur Arch Otorhinolaryngol. 2015 Aug;272(8):1983-90. doi: 10.1007/s00405-015-3611-z. Epub 2015 Mar 29.

PMID:
25821031
37.

Metal oxidation states in biological water splitting.

Krewald V, Retegan M, Cox N, Messinger J, Lubitz W, DeBeer S, Neese F, Pantazis DA.

Chem Sci. 2015 Mar 1;6(3):1676-1695. doi: 10.1039/c4sc03720k. Epub 2015 Jan 9.

38.

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.

Inorg Chem. 2014 Nov 3;53(21):11785-93. doi: 10.1021/ic502081c. Epub 2014 Oct 23.

PMID:
25340874
39.

Autism as a disorder of prediction.

Sinha P, Kjelgaard MM, Gandhi TK, Tsourides K, Cardinaux AL, Pantazis D, Diamond SP, Held RM.

Proc Natl Acad Sci U S A. 2014 Oct 21;111(42):15220-5. doi: 10.1073/pnas.1416797111. Epub 2014 Oct 6.

40.

Electronic structural flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteins.

Shafaat HS, Griese JJ, Pantazis DA, Roos K, Andersson CS, Popović-Bijelić A, Gräslund A, Siegbahn PE, Neese F, Lubitz W, Högbom M, Cox N.

J Am Chem Soc. 2014 Sep 24;136(38):13399-409. doi: 10.1021/ja507435t. Epub 2014 Sep 15.

PMID:
25153930
41.

Photosynthesis. Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation.

Cox N, Retegan M, Neese F, Pantazis DA, Boussac A, Lubitz W.

Science. 2014 Aug 15;345(6198):804-8. doi: 10.1126/science.1254910. Epub 2014 Aug 14.

42.

Chondrosarcoma treated with transoral near total resection of the cricoid.

Pantazis D, Liappi G, Riga M.

B-ENT. 2014;10(2):121-5.

PMID:
25090810
43.

The first tyrosyl radical intermediate formed in the S2-S3 transition of photosystem II.

Retegan M, Cox N, Lubitz W, Neese F, Pantazis DA.

Phys Chem Chem Phys. 2014 Jun 28;16(24):11901-10. doi: 10.1039/c4cp00696h.

PMID:
24760184
44.

Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S2 state: a combined EPR and DFT study.

Lohmiller T, Krewald V, Navarro MP, Retegan M, Rapatskiy L, Nowaczyk MM, Boussac A, Neese F, Lubitz W, Pantazis DA, Cox N.

Phys Chem Chem Phys. 2014 Jun 28;16(24):11877-92. doi: 10.1039/c3cp55017f.

PMID:
24525937
45.

Resolving human object recognition in space and time.

Cichy RM, Pantazis D, Oliva A.

Nat Neurosci. 2014 Mar;17(3):455-62. doi: 10.1038/nn.3635. Epub 2014 Jan 26.

46.

To cut or not to cut? Assessing the modular structure of brain networks.

Chang YT, Pantazis D, Leahy RM.

Neuroimage. 2014 May 1;91:99-108. doi: 10.1016/j.neuroimage.2014.01.010. Epub 2014 Jan 15.

47.

Second order blind identification on the cerebral cortex.

Wheland D, Pantazis D.

J Neurosci Methods. 2014 Feb 15;223:40-9. doi: 10.1016/j.jneumeth.2013.11.023. Epub 2013 Dec 6.

PMID:
24316295
48.

Ammonia binding to the oxygen-evolving complex of photosystem II identifies the solvent-exchangeable oxygen bridge (μ-oxo) of the manganese tetramer.

Pérez Navarro M, Ames WM, Nilsson H, Lohmiller T, Pantazis DA, Rapatskiy L, Nowaczyk MM, Neese F, Boussac A, Messinger J, Lubitz W, Cox N.

Proc Natl Acad Sci U S A. 2013 Sep 24;110(39):15561-6. doi: 10.1073/pnas.1304334110. Epub 2013 Sep 10.

49.

Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem II.

Retegan M, Neese F, Pantazis DA.

J Chem Theory Comput. 2013 Aug 13;9(8):3832-42. doi: 10.1021/ct400477j. Epub 2013 Jul 30.

PMID:
26584129
50.

On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalysts.

Krewald V, Neese F, Pantazis DA.

J Am Chem Soc. 2013 Apr 17;135(15):5726-39. doi: 10.1021/ja312552f. Epub 2013 Apr 8.

PMID:
23527603

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