| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Assessment of ten density functionals through the use of local hyper–softness to get insights about the catalytic activity
|
Martínez-Araya, Jorge I.
|
|
2018
|
24 |
2 |
p. 1-11
|
artikel
|
| 2 |
Biologically important conformational features of DNA as interpreted by quantum mechanics and molecular mechanics computations of its simple fragments
|
Poltev, V.
|
|
2018
|
24 |
2 |
p. 1-12
|
artikel
|
| 3 |
DFT studies of hydrocarbon combustion on metal surfaces
|
Arya, Mina
|
|
2018
|
24 |
2 |
p. 1-10
|
artikel
|
| 4 |
Electronic and optical properties of functionalized zigzag ZnO nanotubes
|
Srivastava, Anurag
|
|
2018
|
24 |
2 |
p. 1-10
|
artikel
|
| 5 |
Influence of defect locations and nitrogen doping configurations on the mechanical properties of armchair graphene nanoribbons
|
Senturk, Ahmet Emin
|
|
2018
|
24 |
2 |
p. 1-10
|
artikel
|
| 6 |
Molecular modeling of immersion optical clearing of biological tissues
|
Berezin, Kirill V.
|
|
2018
|
24 |
2 |
p. 1-8
|
artikel
|
| 7 |
Theoretical descriptions of novel triplet germylenes M1-Ge-M2-M3 (M1 = H, Li, Na, K; M2 = Be, Mg, Ca; M3 = H, F, Cl, Br)
|
Kassaee, Mohamad Zaman
|
|
2018
|
24 |
2 |
p. 1-11
|
artikel
|
| 8 |
Theoretical insight into reaction mechanisms of 2,4-dinitroanisole with hydroxyl radicals for advanced oxidation processes
|
Zhou, Yang
|
|
2018
|
24 |
2 |
p. 1-9
|
artikel
|
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