Dimitrios A. Pantazis

Papers authored by Dimitrios A. Pantazis

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2010 Benedikt Lassalle-Kaiser, Christelle Hureau, Dimitrios A. Pantazis

, Yulia Pushkar, Régis Guillot, Vittal K. Yachandra, Junko Yano, Frank Neese

, Elodie Anxolabéhère-Mallart

Activation of a water molecule using a mononuclear Mn complex: from Mn-aquo, to Mn-hydroxo, to Mn-oxyl via charge compensation

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2009 Dimitrios A. Pantazis

, Frank Neese

All-Electron Scalar Relativistic Basis Sets for the Lanthanides

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Maylis Orio, Dimitrios A. Pantazis

, Taras Petrenko, Frank Neese

Magnetic and Spectroscopic Properties of Mixed Valence Manganese(III,IV) Dimers: A Systematic Study Using Broken Symmetry Density Functional Theory

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M. Maylis Orio, Maylis Orio, Dimitrios A. Pantazis

, Frank Neese

Density functional theory

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Cédric Boulho, Tracy Keys, Yannick Coppel, Laure Vendier

, Michel Etienne, Abel Locati, Fabienne Bessac, Feliu Maseras, Dimitrios A. Pantazis

, John E. McGrady

C−C Coupling Constants,JCC, Are Reliable Probes for α-C−C Agostic Structures

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Dimitrios A. Pantazis

, Maylis Orio, Taras Petrenko, Samir Zein, Eckhard Bill, Wolfgang Lubitz, Johannes Messinger, Frank Neese

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

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Dimitrios A. Pantazis

, Maylis Orio, Taras Petrenko, Samir Zein, Wolfgang Lubitz, Johannes Messinger, Frank Neese

Structure of the oxygen-evolving complex of photosystem II: information on the S2 state through quantum chemical calculation of its magnetic properties

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2008 Michael Bühl, Christoph Reimann, Dimitrios A. Pantazis

, Thomas Bredow, Frank Neese

Geometries of Third-Row Transition-Metal Complexes from Density-Functional Theory

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Dimitrios A. Pantazis

, Xian-Yang Chen, Clark R. Landis, Frank Neese

All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms

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Dimitrios A. Pantazis

, John E. McGrady, Maria Besora, Feliu Maseras, Michel Etienne

On the Origin of α- and β-Agostic Distortions in Early-Transition-Metal Alkyl Complexes

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Cheryl Fish, Michael Green, Rj Kilby, Je McGrady

, Da Pantazis

, Ca Russell

Promotion of phosphaalkyne cyclooligomerisation by a Sb(v) to Sb(iii) redox process.

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Cp Butts, Michael Green, Tn Hooper, Rj Kilby, Je McGrady

, Da Pantazis

, Ca Russell

1,2-Diphosphinobenzene as a synthon for the 1,2,3-triphospha- and 2-arsa-1,3-diphosphaindenyl anions and a stable organo derivative of the P8 unit of Hittorf's phosphorus.

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Da Pantazis

, Ca Murillo, Je McGrady

A re-evaluation of the two-step spin crossover in the trinuclear cation [Co3(dipyridylamido)4Cl2]+.

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2007 John M. Slattery

, Cheryl Fish, Michael Green, Thomas N. Hooper, John C. Jeffery, Richard J. Kilby, Jason M. Lynam, John E. McGrady

, Dimitrios A. Pantazis

, Christopher A. Russell

, Charlotte E. Willans

Evidence for a SN2-Type Pathway for Phosphine Exchange in Phosphine–Phosphenium Cations, [R2PPR′3]+

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Eric J. Derrah, Dimitrios A. Pantazis

, Robert McDonald, Lisa Rosenberg

A Highly Reactive Ruthenium Phosphido Complex Exhibiting Ru−P π-Bonding

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Da Pantazis

, Je McGrady

, Feliu Maseras, Michel Etienne

Critical role of the correlation functional in DFT descriptions of an agostic niobium complex

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2006 Ute Christmann, Dimitrios A. Pantazis

, Jordi Benet-Buchholz, John E. McGrady

, Feliu Maseras, Ramón Vilar

Synthesis and Computational Studies of Palladium(I) Dimers Pd2X2(PtBu2Ph)2(X = Br, I): Phenyl versus Halide Bridging Modes

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Cheryl Fish, Michael Green, Michael Green Prof, John C. Jeffery Dr, Richard J. Kilby Dr, Jason M. Lynam Dr, John E. McGrady Prof

, Dimitrios A. Pantazis Dr

, Christopher A. Russell Dr

, Charlotte E. Willans

A Main‐Group Analogue of Housene: The Subtle Influence of the Inert‐Pair Effect in Group 15 Clusters

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Cheryl Fish, Michael Green, Richard J. Kilby, Jason M. Lynam, John E. McGrady, Dimitrios A. Pantazis

, Christopher A. Russell

, Adrian C. Whitwood, Charlotte E. Willans

A New Reaction Pathway in Organophosphorus Chemistry: Competing SN2 and AE′ Pathways for Nucleophilic Attack at a Phosphorus–Carbon Cage Compound

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Ute Christmann, Da Pantazis

, Jordi Benet-Buchholz, Je McGrady, Feliu Maseras, Ramón Vilar

Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.

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Papers authored by Dimitrios A. Pantazis