Publikationen von Dimitrios A. Pantazis
Alle Typen
Zeitschriftenartikel (133)
2011
Zeitschriftenartikel
7 (3), S. 677 - 684 (2011)
All-Electron Scalar Relativistic Basis Sets for the Actinides. Journal of Chemical Theory and Computation
Zeitschriftenartikel
148, S. 229 - 238 (2011)
What is not required to make a single molecule magnet. Faraday Discussions 2010
Zeitschriftenartikel
132 (40), S. 14239 - 14250 (2010)
C−H Bond Activation of Benzene by Unsaturated η2-Cyclopropene and η2-Benzyne Complexes of Niobium. Journal of the American Chemical Society
Zeitschriftenartikel
3 (7), S. 924 - 938 (2010)
Activation of a water molecule using a mononuclear Mn complex: from Mn-aquo, to Mn-hydroxo, to Mn-oxyl via charge compensation. Energy & Environmental Science
Zeitschriftenartikel
39 (20), S. 4959 - 4967 (2010)
Theoretical magnetochemistry of dinuclear manganese complexes: broken symmetry density functional theory investigation on the influence of bridging motifs on structure and magnetism. Dalton Transactions
Zeitschriftenartikel
49 (19), S. 3367 - 3370 (2010)
Concerted [2+2] Cycloaddition of Alkenes to a Ruthenium–Phosphorus Double Bond. Angewandte Chemie International Edition 2009
Zeitschriftenartikel
102 (2-3), S. 443 - 453 (2009)
Density functional theory. Photosynthesis Research
Zeitschriftenartikel
48 (21), S. 10281 - 10288 (2009)
Trinuclear Terpyridine Frustrated Spin System with a MnIV3O4 Core: Synthesis, Physical Characterization, and Quantum Chemical Modeling of Its Magnetic Properties. Inorganic Chemistry
Zeitschriftenartikel
5 (9), S. 2229 - 2238 (2009)
All-Electron Scalar Relativistic Basis Sets for the Lanthanides. Journal of Chemical Theory and Computation
Zeitschriftenartikel
11 (31), S. 6788 - 6798 (2009)
Structure of the oxygen-evolving complex of photosystem II: information on the S2 state through quantum chemical calculation of its magnetic properties. Physical Chemistry Chemical Physics
Zeitschriftenartikel
48 (15), S. 7251 - 7260 (2009)
Magnetic and Spectroscopic Properties of Mixed Valence Manganese(III,IV) Dimers: A Systematic Study Using Broken Symmetry Density Functional Theory. Inorganic Chemistry
Zeitschriftenartikel
15 (20), S. 5108 - 5123 (2009)
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. Chemistry – A European Journal 2008
Zeitschriftenartikel
4 (9), S. 1449 - 1459 (2008)
Geometries of Third-Row Transition-Metal Complexes from Density-Functional Theory. Journal of Chemical Theory and Computation
Zeitschriftenartikel
4 (6), S. 908 - 919 (2008)
All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms. Journal of Chemical Theory and Computation
Zeitschriftenartikel
27 (6), S. 1128 - 1134 (2008)
On the Origin of α- and β-Agostic Distortions in Early-Transition-Metal Alkyl Complexes. Organometallics
Zeitschriftenartikel
28 (4), S. 940 - 943 (2008)
C−C Coupling Constants, JCC, Are Reliable Probes for α-C−C Agostic Structures. Organometallics
Zeitschriftenartikel
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 (7), S. 856 - 858 (2008)
Zeitschriftenartikel
Promotion of phosphaalkyne cyclooligomerisation by a Sb(v) to Sb(iii)redox process. Dalton Transactions (28), S. 3753 - 3758 (2008)
Zeitschriftenartikel
A re-evaluation of the two-step spin crossover in the trinuclear cation [Co3(dipyridylamido)4Cl2]+. Dalton Transactions (5), S. 608 - 614 (2008)
2007
Zeitschriftenartikel
13 (24), S. 6967 - 6974 (2007)
Evidence for a SN2‐Type Pathway for Phosphine Exchange in Phosphine–Phosphenium Cations, [R2P-PR′3]+. Chemistry – A European Journal