Publications of Eckhard Bill
All genres
Journal Article (59)
2007
Journal Article
46 (4), pp. 1100 - 1111 (2007)
Molecular and Electronic Structure of Square-Planar Gold Complexes Containing Two 1,2-Di(4-tert-butylphenyl)ethylene-1,2-dithiolato Ligands: [Au(2L)2]1+/0/1-/2-. A Combined Experimental and Computational Study. Inorganic Chemistry
Journal Article
129 (4), pp. 760 - 761 (2007)
Importance of the Anisotropic Exchange Interaction for the Magnetic Anisotropy of Polymetallic Systems. Journal of the American Chemical Society 2006
Journal Article
128 (42), pp. 13901 - 13912 (2006)
Electronic Structure of Bis(imino)pyridine Iron Dichloride, Monochloride, and Neutral Ligand Complexes: A Combined Structural, Spectroscopic, and Computational Study. Journal of the American Chemical Society
Journal Article
128 (41), pp. 13515 - 13528 (2006)
Octahedral Non-Heme Oxo and Non-Oxo Fe(IV) Complexes: An Experimental/Theoretical Comparison. Journal of the American Chemical Society
Journal Article
45 (19), pp. 7877 - 7890 (2006)
Electronic Structure of Mononuclear Bis(1,2-diaryl-1,2-ethylenedithiolato)iron Complexes Containing a Fifth Cyanide or Phosphite Ligand: A Combined Experimental and Computational Study. Inorganic Chemistry
Journal Article
312 (5782), pp. 1937 - 1941 (2006)
An Octahedral Coordination Complex of Iron(VI). Science
Journal Article
45 (5), pp. 2027 - 2037 (2006)
Effect of N-Methylation of Macrocyclic Amine Ligands on the Spin State of Iron(III): A Tale of Two Fluoro Complexes. Inorganic Chemistry 2005
Journal Article
280 (24), pp. 22560 - 22563 (2005)
A Vertebrate-type Ferredoxin Domain in the Na+-translocating NADH Dehydrogenase from Vibrio cholerae. The Journal of Biological Chemistry
Journal Article
44 (19), pp. 2908 - 2912 (2005)
The Geometric and Electronic Structure of [(cyclam‐acetato)Fe(N)]+: A Genuine Iron(V) Species with a Ground‐State Spin S=1/2. Angewandte Chemie International Edition
Journal Article
44 (10), pp. 3636 - 3656 (2005)
Square Planar vs Tetrahedral Coordination in Diamagnetic Complexes of Nickel(II) Containing Two Bidentate π-Radical Monoanions. Inorganic Chemistry
Journal Article
44 (7), pp. 2245 - 2254 (2005)
Performance of Nonrelativistic and Quasi-Relativistic Hybrid DFT for the Prediction of Electric and Magnetic Hyperfine Parameters in 57Fe Mössbauer Spectra. Inorganic Chemistry 2004
Journal Article
11 (1), pp. 204 - 224 (2004)
Molecular and Electronic Structure of Four‐ and Five‐Coordinate Cobalt Complexes Containing Two o‐Phenylenediamine‐ or Two o‐Aminophenol‐Type Ligands at Various Oxidation Levels: An Experimental, Density Functional, and Correlated ab initio Study. Chemistry – A European Journal
Journal Article
43 (23), pp. 7324 - 7338 (2004)
Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO). Inorganic Chemistry
Journal Article
279 (20), pp. 21349 - 21355 (2004)
NADH Oxidation by the Na+-translocating NADH:Quinone Oxidoreductase from Vibrio cholerae: FUNCTIONAL ROLE OF THE NqrF SUBUNIT. The Journal of Biological Chemistry
Journal Article
126 (16), pp. 5138 - 5153 (2004)
Structural, Spectroscopic, and Computational Study of an Octahedral, Non-Heme {Fe−NO}6-8 Series: [Fe(NO)(cyclam-ac)]2+/+/0. Journal of the American Chemical Society 2003
Journal Article
125 (50), pp. 15554 - 15570 (2003)
Mixed-Valent {FeIV(μ-O)(μ-carboxylato)2FeIII}3+ Core. Journal of the American Chemical Society
Journal Article
125 (5), pp. 1293 - 1308 (2003)
Noninnocence of the Ligand Glyoxal-bis(2-mercaptoanil). The Electronic Structures of [Fe(gma)]2, [Fe(gma)(py)]·py, [Fe(gma)(CN)]1-/0, [Fe(gma)I], and [Fe(gma)(PR3)n] (n = 1, 2). Experimental and Theoretical Evidence for “Excited State” Coordination. Journal of the American Chemical Society 2002
Journal Article
41 (13), pp. 3444 - 3456 (2002)
Tuning the Electronic Structure of Octahedral Iron Complexes [FeL(X)] (L = 1-Alkyl-4,7-bis(4-tert-butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane, X = Cl, CH3O, CN, NO). The S = 1/2 ⇌ S = 3/2 Spin Equilibrium of [FeLPr(NO)]. Inorganic Chemistry 2001
Journal Article
40 (17), pp. 4191 - 4198 (2001)
Molecular and Electronic Structure of [MnVN(cyclam−acetato)]PF6. A Combined Experimental and DFT Study. Inorganic Chemistry Book Chapter (1)
2012
Book Chapter
Schlögl, R.). Walter De Gruyter, Berlin (2012)
4.5 Challenges in Molecular Energy Research. In: Chemical Energy Storage (Ed.