| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Anchoring the potential energy surface of an important atmospheric van der Waals dimer, the H2O⋯O2 complex
|
Dreux, Katelyn M.
|
|
2015
|
1072 |
C |
p. 21-27
7 p.
|
artikel
|
| 2 |
Charge transport properties of 5,6,7-trithiapentacene-13-one (TTPO) and its fluorinated derivatives
|
Hu, Yong
|
|
2015
|
1072 |
C |
p. 63-71
9 p.
|
artikel
|
| 3 |
Do composite methods achieve their target accuracy?
|
Weber, Rebecca
|
|
2015
|
1072 |
C |
p. 58-62
5 p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
2015
|
1072 |
C |
p. IFC-
1 p.
|
artikel
|
| 5 |
Interaction of aquated form of ruthenium(III) anticancer complexes with normal and mismatch base pairs: A density functional theoretical study
|
Das, Dharitri
|
|
2015
|
1072 |
C |
p. 28-36
9 p.
|
artikel
|
| 6 |
Lithium migration at low concentration in TiO2 polymorphs
|
Arrouvel, Corinne
|
|
2015
|
1072 |
C |
p. 43-51
9 p.
|
artikel
|
| 7 |
The CN coupling reaction of bimetallic cations [MAu(CH)]+ (M=Pt, Ir, Os) with NH3
|
Hou, Xiufang
|
|
2015
|
1072 |
C |
p. 52-57
6 p.
|
artikel
|
| 8 |
The effect of C-substituents on the topomerization mechanism, inversion barriers and electronic character of CN bond in N-alkylimines: A theoretical study
|
Kutsik-Savchenko, Nataliya V.
|
|
2015
|
1072 |
C |
p. 15-20
6 p.
|
artikel
|
| 9 |
Theoretical evaluation of corrosion inhibition performance of three antipyrine compounds
|
Mi, Hongfu
|
|
2015
|
1072 |
C |
p. 7-14
8 p.
|
artikel
|
| 10 |
Theoretical study on the nitrate radical oxidation of methyl vinyl ether
|
Cao, Haijie
|
|
2015
|
1072 |
C |
p. 72-78
7 p.
|
artikel
|
| 11 |
Understanding the participation of 3-nitropyridine in polar Diels–Alder reactions. A DFT study
|
Ormachea, Carla M.
|
|
2015
|
1072 |
C |
p. 37-42
6 p.
|
artikel
|
| 12 |
Zero field splitting in Mn (III) complexes: A comparative study of DFT base Coupled-Perturbed and Pederson–Khanna approaches
|
Dutta, Snigdha
|
|
2015
|
1072 |
C |
p. 1-6
6 p.
|
artikel
|
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