The Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory: Methodological Aspects and Applications to Metal Complexes and Clusters
- 1 January 1996
- book chapter
- Published by Elsevier
- Vol. 4, 497-566
- https://doi.org/10.1016/s1380-7323(96)80096-3
Abstract
No abstract availableThis publication has 100 references indexed in Scilit:
- Carbonylated Nickel Clusters: From Molecules to MetalsAccounts of Chemical Research, 1995
- Synthesis, Chemical Characterization, and Bonding Analysis of the [Ag{Fe(CO)4}2]3-, [Ag4{.mu.2-Fe(CO)4}4]4-, and [Ag5{.mu.2-Fe(CO)4}2{.mu.3-Fe(CO)4}2]3- Cluster Anions. X-ray Structural Determination of[NMe3CH2Ph]4[Ag4Fe4(CO)16] and [NEt4]3[Ag5Fe4(CO)16]Inorganic Chemistry, 1994
- First Bond Dissociation Energy of M(CO)6 (M = Cr, Mo, W ) Revisited: The Performance of Density Functional Theory and the Influence of Relativistic EffectsThe Journal of Physical Chemistry, 1994
- Relativistic density-functional studies of naked and ligated gold clustersInternational Journal of Quantum Chemistry, 1994
- Bonding in Endohedral Metal–Fullerene Complexes: f‐Orbital Covalency in Ce@C28Angewandte Chemie International Edition in English, 1993
- Asymmetric localization of titanium in carbon molecule (C28)The Journal of Physical Chemistry, 1992
- Aurophilicity as Concerted Effect: Relativistic MO Calculations on Carbon‐Centered Gold ClustersAngewandte Chemie International Edition in English, 1989
- Cycloreversion in metal-assisted olefin oxidation by peroxide. Molybdenum(VI) vs. rhodium(III)Organometallics, 1985
- Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120Atomic Data and Nuclear Data Tables, 1973
- Hard and Soft Acids and BasesJournal of the American Chemical Society, 1963