| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of cationic water cluster (H2O)9 + via particle swarm optimization algorithm
|
Shi, Lan-Ting
|
|
2017
|
1120 |
C |
p. 102-111
|
artikel
|
| 2 |
Ab initio study of electronic and optical properties of Fe doped anatase TiO 2 (1 0 1) surface
|
Toprek, Dragan
|
|
2017
|
1120 |
C |
p. 17-23
|
artikel
|
| 3 |
Band gap opening in bilayer graphene by the simultaneous adsorption of electron donating and electron acceptor molecules
|
Denis, Pablo A.
|
|
2017
|
1120 |
C |
p. 96-101
|
artikel
|
| 4 |
Combined complete active space configuration interaction and perturbation theory applied to conformational energy prototypes: Rotation and inversion barriers
|
Sinha Ray, Suvonil
|
|
2017
|
1120 |
C |
p. 56-78
|
artikel
|
| 5 |
Editorial Board
|
|
|
2017
|
1120 |
C |
p. IFC
|
artikel
|
| 6 |
Enhanced interaction of nickel clusters with pyridinic-N (B) doped graphene using DFT simulation
|
Zhou, Xuan
|
|
2017
|
1120 |
C |
p. 8-16
|
artikel
|
| 7 |
First-principles study of copper nanoclusters for enhanced electrochemical CO2 reduction to CH4
|
Shin, Dong Yun
|
|
2017
|
1120 |
C |
p. 84-90
|
artikel
|
| 8 |
Free radicals interacting with Cu, Ag and Au clusters
|
Reina, Miguel
|
|
2017
|
1120 |
C |
p. 24-33
|
artikel
|
| 9 |
Molecular structural and electrical properties of trans-1,3,3,3-tetrafluoropropene and 2,3,3,3-tetrafluoropropene under external electric fields
|
Liang, Yidan
|
|
2017
|
1120 |
C |
p. 79-83
|
artikel
|
| 10 |
On the interaction of cyanoformaldehyde with HNO, HF, HCl, H2O, and CH3OH: A preference for orthogonal structures
|
Karpfen, Alfred
|
|
2017
|
1120 |
C |
p. 34-45
|
artikel
|
| 11 |
Phase transition and high-pressure thermodynamic properties of CdN derived from first-principles and quasi-harmonic Debye model
|
Tian, J.H.
|
|
2017
|
1120 |
C |
p. 91-95
|
artikel
|
| 12 |
Photophysical properties of chiral covalent organic cages
|
Shi, Qi
|
|
2017
|
1120 |
C |
p. 1-7
|
artikel
|
| 13 |
Reaction of SO2 with Group IV and VI transition metal oxide clusters
|
Flores, Luis A.
|
|
2017
|
1120 |
C |
p. 46-55
|
artikel
|
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