| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Charge density studies on [(NO)Fe(S2C6H4)2][PPN] and [(NO)3Fe(S2C6H4)3] complexes
|
Lee, Chi-Rung
|
|
2012
|
15 |
2-3 |
p. 237-249
13 p.
|
artikel
|
| 2 |
Connecting ruthenium substituted Keggin-type tungstophosphates by oxotungstic bridges: Evidence for the steric effect of {RuL3}2+ (L3 =η6-arene, (DMSO)3) fragments
|
Laurencin, Danielle
|
|
2012
|
15 |
2-3 |
p. 135-142
8 p.
|
artikel
|
| 3 |
Counterion effects on the 183W NMR spectra of the lacunary Keggin polyoxotungstate [PW11O39]7–. Relativistic DFT calculations
|
Bagno, Alessandro
|
|
2012
|
15 |
2-3 |
p. 118-123
6 p.
|
artikel
|
| 4 |
Do Keggin anions repulse each other in solution? The effect of solvent, counterions and ion representation investigated by free energy (PMF) simulations
|
Chaumont, Alain
|
|
2012
|
15 |
2-3 |
p. 107-117
11 p.
|
artikel
|
| 5 |
Editorial Board - English
|
|
|
2012
|
15 |
2-3 |
p. CO3-
1 p.
|
artikel
|
| 6 |
Editorial Board - French
|
|
|
2012
|
15 |
2-3 |
p. CO2-
1 p.
|
artikel
|
| 7 |
Electronic fine structure calculation of [Gd(DOTA)(H2O)]– using LF-DFT: The zero field splitting
|
Senn, Florian
|
|
2012
|
15 |
2-3 |
p. 250-254
5 p.
|
artikel
|
| 8 |
Electronic structure of IPR and non-IPR endohedral metallofullerenes: Connecting orbital and topological rules
|
Alegret, Núria
|
|
2012
|
15 |
2-3 |
p. 152-158
7 p.
|
artikel
|
| 9 |
Electron transport through molecular wires based on a face-shared bioctahedral motif
|
Mistry, Vitesh
|
|
2012
|
15 |
2-3 |
p. 176-183
8 p.
|
artikel
|
| 10 |
Ferromagnetic coupling induced by spin-orbit coupling in dipyridylamide linear trinuclear Cu-Pd-Cu and Cu-Pt-Cu complexes
|
Maynau, Daniel
|
|
2012
|
15 |
2-3 |
p. 170-175
6 p.
|
artikel
|
| 11 |
First principles investigation of the atomic structure and magnetic properties of copper hydroxide acetate
|
Yang, Fan
|
|
2012
|
15 |
2-3 |
p. 202-208
7 p.
|
artikel
|
| 12 |
Further studies of [Ni4(DAniDANy)4] (DAniDANy2− = N,N’-bis-p-anisyl-2,7-diamido-1,8-naphthyridine) and its one-electron oxidation product: Metal-metal sigma bonding in Ni4 9+ complex
|
Huang, Gin-Chen
|
|
2012
|
15 |
2-3 |
p. 159-162
4 p.
|
artikel
|
| 13 |
Intramolecular d10–d10 interactions in neutral, dinuclear Au(I) complexes supported by amino-thiazoline- and -thiazole-based P,N-phosphine ligands
|
Voß, Corinna
|
|
2012
|
15 |
2-3 |
p. 229-236
8 p.
|
artikel
|
| 14 |
Jahn-Teller distortion, ferromagnetic coupling, and electron delocalization in a high-spin Fe–Fe bonded dimer
|
Timmer, George H.
|
|
2012
|
15 |
2-3 |
p. 192-201
10 p.
|
artikel
|
| 15 |
Large electron correlation effect leading to BeBe bond
|
Jeung, Gwang-Hi
|
|
2012
|
15 |
2-3 |
p. 225-228
4 p.
|
artikel
|
| 16 |
Magnetic exchange coupling in imido bimetallic uranium(V) complexes. A relativistic DFT study
|
Meskaldji, Samir
|
|
2012
|
15 |
2-3 |
p. 184-191
8 p.
|
artikel
|
| 17 |
Models for the trinuclear copper(II) cluster in the particulate methane monooxygenase from methanotrophic bacteria: Synthesis, spectroscopic and theoretical characterization of trinuclear copper(II) complexes
|
Liu, Isiah Po-Chun
|
|
2012
|
15 |
2-3 |
p. 214-224
11 p.
|
artikel
|
| 18 |
{Mo2O2S2}2+-directed synthesis of a polyoxotungstoarsenate(III). Structure and 183W NMR studies of the [(α–AsW9O33)3(WO(OH2))3(Mo2O2S2(H2O)4)]13− anion
|
Pilette, Marie-Anne
|
|
2012
|
15 |
2-3 |
p. 124-129
6 p.
|
artikel
|
| 19 |
Polyoxometalates, metal wires and other “polymetallic” complexes: Structure, properties, theoretical modelling. A tribute to Marie-Madeleine Rohmer
|
Bénard, Marc
|
|
2012
|
15 |
2-3 |
p. 103-106
4 p.
|
artikel
|
| 20 |
Simple versus composite nature of the magnetic coupling in copper and nickel-based metallic chains. Over- and underestimation of J
|
Bandeira, Nuno A.G.
|
|
2012
|
15 |
2-3 |
p. 163-169
7 p.
|
artikel
|
| 21 |
Structures and spectral properties of heteroleptic copper (I) complexes: A theoretical study based on density functional theory
|
Kayanuma, Megumi
|
|
2012
|
15 |
2-3 |
p. 255-266
12 p.
|
artikel
|
| 22 |
Theoretical study of the four isomers of [Siw11o39]8−: Structure, stability and physical properties
|
Chermette, Henry
|
|
2012
|
15 |
2-3 |
p. 143-151
9 p.
|
artikel
|
| 23 |
Trimeric, cyclic Ti10-containing 27-tungsto-3-germanate [(α-Ti3GeW9O37OH)3(TiO3(OH2)3)]17−
|
Al-Kadamany, Ghada A.
|
|
2012
|
15 |
2-3 |
p. 130-134
5 p.
|
artikel
|
| 24 |
Unconstrained magnetism in nanostructures at zero temperature: An ultimate goal
|
Demangeat, Claude
|
|
2012
|
15 |
2-3 |
p. 209-213
5 p.
|
artikel
|
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