Publications of Thomas Weyhermüller
All genres
Journal Article (33)
2006
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
44 (15), pp. 5345 - 5360 (2005)
Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)2]z (z = 2−, 1−, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study. Inorganic Chemistry
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
127 (12), pp. 4403 - 4415 (2005)
The Electronic Structure of the Isoelectronic, Square-Planar Complexes [FeII(L)2]2- and [CoIII(LBu)2]- (L2- and (LBu)2- = Benzene-1,2-dithiolates): An Experimental and Density Functional Theoretical Study. Journal of the American Chemical Society 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
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 (30), pp. 9116 - 9128 (2003)
Molecular and Electronic Structures of Bis-(o-diiminobenzosemiquinonato)metal(II) Complexes (Ni, Pd, Pt), Their Monocations and -Anions, and of Dimeric Dications Containing Weak Metal−Metal Bonds. 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 (16), pp. 4295 - 4303 (2002)
o-Iminobenzosemiquinonato(1−) and o-Amidophenolato(2−) Complexes of Palladium(II) and Platinum(II): A Combined Experimental and Density Functional Theoretical Study. Inorganic Chemistry
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