| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A broken-symmetry study on the automerization of cyclobutadiene. Comparison with UNO- and DNO-MRCC methods
|
Saito, Toru
|
|
2010
|
498 |
4-6 |
p. 253-258
6 p.
|
artikel
|
| 2 |
Author Index
|
|
|
2010
|
498 |
4-6 |
p. 370-375
6 p.
|
artikel
|
| 3 |
Contents
|
|
|
2010
|
498 |
4-6 |
p. iii-x
nvt p.
|
artikel
|
| 4 |
Density functional calculations of the electronic structure and magnetism of the different phases of BaFe 2 As 2
|
Gotsis, H.J.
|
|
2010
|
498 |
4-6 |
p. 281-286
6 p.
|
artikel
|
| 5 |
Direct electron-transfer conduits constructed at the interface between multicopper oxidase and nanocrystalline semiconductive Fe oxides
|
Nakamura, Ryuhei
|
|
2010
|
498 |
4-6 |
p. 307-311
5 p.
|
artikel
|
| 6 |
Distinguishing hydrogen bonding networks in α-d-galactose using NMR experiments and first principles calculations
|
Kibalchenko, Mikhail
|
|
2010
|
498 |
4-6 |
p. 270-276
7 p.
|
artikel
|
| 7 |
Editorial Board
|
|
|
2010
|
498 |
4-6 |
p. IFC-
1 p.
|
artikel
|
| 8 |
Electronic properties of F/Zr co-doped anatase TiO2 photocatalysts from GGA+ U calculations
|
Long, Run
|
|
2010
|
498 |
4-6 |
p. 338-344
7 p.
|
artikel
|
| 9 |
Evolution of a Pt (111) surface at high oxygen coverage in acid medium
|
Martínez de la Hoz, Julibeth M.
|
|
2010
|
498 |
4-6 |
p. 328-333
6 p.
|
artikel
|
| 10 |
Fe-complex of a tetraamido macrocyclic ligand: Spectroscopic characterization and catalytic oxidation studies
|
Sullivan, Shane Z.
|
|
2010
|
498 |
4-6 |
p. 359-365
7 p.
|
artikel
|
| 11 |
First-principles study of photoinduced electron-transfer dynamics in a Mg–porphyrin–quinone complex
|
Borrelli, Raffaele
|
|
2010
|
498 |
4-6 |
p. 230-234
5 p.
|
artikel
|
| 12 |
Gaseous products of thermo- and photo-reduction of graphite oxide
|
Shulga, Y.M.
|
|
2010
|
498 |
4-6 |
p. 287-291
5 p.
|
artikel
|
| 13 |
Graphene nanomeshes: Onset of conduction band gaps
|
Lopata, Kenneth
|
|
2010
|
498 |
4-6 |
p. 334-337
4 p.
|
artikel
|
| 14 |
Hierarchical charge carrier motion in conjugated polymers
|
Devižis, A.
|
|
2010
|
498 |
4-6 |
p. 302-306
5 p.
|
artikel
|
| 15 |
High-level ab initio electronic structure calculations of RgBe2O2 and RgBe2O2Rg (Rg =He, Ne, Ar, Kr and Xe) complexes
|
Kobayashi, Takanori
|
|
2010
|
498 |
4-6 |
p. 235-239
5 p.
|
artikel
|
| 16 |
Interaction of the alcohol molecules methanol and ethanol with single-walled carbon nanotubes – A computational study
|
Pankewitz, Tobias
|
|
2010
|
498 |
4-6 |
p. 345-348
4 p.
|
artikel
|
| 17 |
Melting and solidification point of fcc-metal nanoparticles with respect to particle size: A molecular dynamics study
|
Shibuta, Yasushi
|
|
2010
|
498 |
4-6 |
p. 323-327
5 p.
|
artikel
|
| 18 |
Molecular hydrogen assisted transport of H atoms
|
Asatryan, Rubik
|
|
2010
|
498 |
4-6 |
p. 263-269
7 p.
|
artikel
|
| 19 |
On the biological activity of drug molecules: Busulfan and nabumetone
|
Novak, Igor
|
|
2010
|
498 |
4-6 |
p. 240-244
5 p.
|
artikel
|
| 20 |
On the promotion energy of an atom in a molecule
|
Mayer, I.
|
|
2010
|
498 |
4-6 |
p. 366-369
4 p.
|
artikel
|
| 21 |
Partially covalent nature and substitution non-additivity of Au-bonding in H2O–AuCH3 complex
|
Li, Qingzhong
|
|
2010
|
498 |
4-6 |
p. 259-262
4 p.
|
artikel
|
| 22 |
Publisher’s Note
|
|
|
2010
|
498 |
4-6 |
p. 229-
1 p.
|
artikel
|
| 23 |
Simulation of vacancy diffusion in a silver nanocluster
|
Taherkhani, Farid
|
|
2010
|
498 |
4-6 |
p. 312-316
5 p.
|
artikel
|
| 24 |
Template-free self-assembly of hierarchical ZnO structures from nanoscale building blocks
|
Pachauri, Vivek
|
|
2010
|
498 |
4-6 |
p. 317-322
6 p.
|
artikel
|
| 25 |
Theoretical investigation for the reaction of N2O with CO catalyzed by MO+ (M=Ru, Os)
|
Wang, Yong-Cheng
|
|
2010
|
498 |
4-6 |
p. 245-252
8 p.
|
artikel
|
| 26 |
Theoretical study of CO adsorption on yttrium-doped gold clusters Au n Y (n =1–9)
|
Lin, Ling
|
|
2010
|
498 |
4-6 |
p. 296-301
6 p.
|
artikel
|
| 27 |
Theory of the ligand-correlated covalent effect on spin orbit coupling for Cr3+ ion doping in a variety of oxide crystals
|
Li, Cheng-Gang
|
|
2010
|
498 |
4-6 |
p. 353-358
6 p.
|
artikel
|
| 28 |
Two-photon absorption properties of a novel class of triarylamine compounds
|
Piovesan, E.
|
|
2010
|
498 |
4-6 |
p. 277-280
4 p.
|
artikel
|
| 29 |
Validation of a model for the interaction-induced long-range first hyperpolarizability
|
Bancewicz, Tadeusz
|
|
2010
|
498 |
4-6 |
p. 349-352
4 p.
|
artikel
|
| 30 |
Zero-field-splitting in triplet-state nanotubes
|
Szakács, Péter
|
|
2010
|
498 |
4-6 |
p. 292-295
4 p.
|
artikel
|
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