Publikationen von Dimitrios A. Pantazis

Pantazis, D. A.; Chen, X.-Y.; Landis, C. R.; Neese, F. All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms. Journal of Chemical Theory and Computation 2008, 4, 908–919.

Pantazis, D. A.; McGrady, J. E.; Besora, M.; Maseras, F.; Etienne, M. On the Origin of α- and β-Agostic Distortions in Early-Transition-Metal Alkyl Complexes. Organometallics 2008, 27, 1128–1134.

Boulho, C.; Keys, T.; Coppel, Y.; Vendier, L.; Etienne, M.; Locati, A.; Bessac, F.; Maseras, F.; Pantazis, D. A.; McGrady, J. E. C−C Coupling Constants, J_CC, Are Reliable Probes for α-C−C Agostic Structures. Organometallics 2008, 28, 940–943.

Butts, C. P.; Green, M.; Hooper, T. N.; Kilby, R. J.; McGrady, J. E.; Pantazis, D. A.; Russell, C. A. 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. Chemical Communications 2008, Nr. 7, 856–858.

Fish, C.; Green, M.; Kilby, R. J.; McGrady, J. E.; Pantazis, D. A.; Russell, C. A. Promotion of phosphaalkyne cyclooligomerisation by a Sb(v) to Sb(iii)redox process. Dalton Transactions 2008, Nr. 28, 3753–3758.

Pantazis, D. A.; Murillo, C. A.; McGrady, J. E. A re-evaluation of the two-step spin crossover in the trinuclear cation [Co₃(dipyridylamido)₄Cl₂]⁺. Dalton Transactions 2008, Nr. 5, 608–614.

Slattery, J. M.; Fish, C.; Green, M.; Hooper, T. N.; Jeffery, J. C.; Kilby, R. J.; Lynam, J. M.; McGrady, J. E.; Pantazis, D. A.; Russell, C. A.; Willans, C. E. Evidence for a S_N2‐Type Pathway for Phosphine Exchange in Phosphine–Phosphenium Cations, [R₂P-PR′₃]⁺. Chemistry – A European Journal 2007, 13, 6967–6974.

Pantazis, D. A.; McGrady, J. E.; Maseras, F.; Etienne, M. Critical Role of the Correlation Functional in DFT Descriptions of an Agostic Niobium Complex. Journal of Chemical Theory and Computation 2007, 3, 1329–1336.

Derrah, E. J.; Pantazis, D. A.; McDonald, R.; Rosenberg, L. A Highly Reactive Ruthenium Phosphido Complex Exhibiting Ru−P π-Bonding. Organometallics 2007, 26, 1473–1482.

Christmann, U.; Pantazis, D. A.; Benet-Buchholz, J.; McGrady, J. E.; Maseras, F.; Vilar, R. Synthesis and Computational Studies of Palladium(I) Dimers Pd₂X₂(P^tBu₂Ph)₂ (X = Br, I):  Phenyl versus Halide Bridging Modes. Organometallics 2006, 25, 5990–5995.

Fish, C.; Green, M.; Jeffery, J. C.; Kilby, R. J.; Lynam, J. M.; McGrady, J. E.; Pantazis, D. A.; Russell, C. A.; Willans, C. E. A Main‐Group Analogue of Housene: The Subtle Influence of the Inert‐Pair Effect in Group 15 Clusters. Angewandte Chemie International Edition 2006, 45, 6685–6689.

Fish, C.; Green, M.; Kilby, R. J.; Lynam, J. M.; McGrady, J. E.; Pantazis, D. A.; Russell, C. A.; Whitwood, A. C.; Willans, C. E. A New Reaction Pathway in Organophosphorus Chemistry: Competing S_N2 and AE′ Pathways for Nucleophilic Attack at a Phosphorus–Carbon Cage Compound. Angewandte Chemie International Edition 2006, 45, 3628–3631.

Christmann, U.; Pantazis, D. A.; Benet-Buchholz, J.; McGrady, J. E.; Maseras, F.; Vilar, R. Experimental and Theoretical Investigations of New Dinuclear Palladium Complexes as Precatalysts for the Amination of Aryl Chlorides. Journal of the American Chemical Society 2006, 128, 6376–6390.

Pantazis, D. A.; McGrady, J. E. A Three-State Model for the Polymorphism in Linear Tricobalt Compounds. Journal of the American Chemical Society 2006, 128, 4128–4135.

Fish, C.; Green, M.; Kilby, R. J.; Lynam, J. M.; McGrady, J. E.; Pantazis, D. A.; Russell, C. A.; Willans, C. E. Cationic phosphorus–carbon–pnictogen cages isolobal to [C₅R₅]⁺. Chemical Communications 2006, Nr. 13, 1375–1377.

McGrady, J. E.; Pantazis, D. A. Bistability in Metal Cluster Compounds. Chemtracts 2005, 18, 629–636.

Pantazis, D. A.; McGrady, J. E.; Lynam, J. M.; Russell, C. A.; Green, M. Structure and bonding in the isoelectronic series C_nH_nP_5−n⁺: is phosphorus a carbon copy? Dalton Transactions 2004, Nr. 14, 2080–2086.

Pantazis, D. A.; Tsipis, A. C.; Tsipis, C. A. Theoretical Study on the Mechanism of Reaction of Ground-State Fe Atoms with Carbon Dioxide. Collection of Czechoslovak Chemical Communications 2004, 69, 13–33.

Pantazis, D. A.; McGrady, J. E. On the Nature of the Bonding in 1:1 Adducts of O₂. Inorganic Chemistry 2003, 42, 7734–7736.

Pantazis, D. A.; Tsipis, A. C.; Tsipis, C. A. Ab Initio Quantum Chemical Study of the Coordination Preferences and Catalytic Role of Cu⁺ Ions in the Dehydration Reactions of Hydroxyformaldoxime Conformers and the Oxidation of HCN to Hydroxyformaldoxime by Hydrogen Peroxide. The Journal of Physical Chemistry A 2002, 106, 1425–1440.