| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Adsorption of rare earth yttrium and ammonium ions on kaolinite surfaces: a DFT study
|
Wang, Guanshi
|
|
2018
|
137 |
4 |
p. 1-11
|
artikel
|
| 2 |
Computational analysis of the competitive bonding and reactivity pattern of a bifunctional cyclooctyne on Si(001)
|
Pecher, Lisa
|
|
2018
|
137 |
4 |
p. 1-15
|
artikel
|
| 3 |
Coupled cluster evaluation of the second and third harmonic scattering responses of small molecules
|
Beaujean, Pierre
|
|
2018
|
137 |
4 |
p. 1-11
|
artikel
|
| 4 |
DFT calculations on subnanometric metal catalysts: a short review on new supported materials
|
Cortese, Remedios
|
|
2018
|
137 |
4 |
p. 1-8
|
artikel
|
| 5 |
Direct inversion of the iterative subspace (DIIS) convergence accelerator for crystalline solids employing Gaussian basis sets
|
Maschio, Lorenzo
|
|
2018
|
137 |
4 |
p. 1-5
|
artikel
|
| 6 |
Energy conversion process of substituted phthalocyanines with potential application to DSSC: a theoretical study
|
Linares-Flores, Cristian
|
|
2018
|
137 |
4 |
p. 1-10
|
artikel
|
| 7 |
Low-energy stereodynamics in the ion–molecule reactions D+ + D2/HD and H+ + H2/HD: reagent vibrational excitation effect and mass factor effect
|
Lü, Rui
|
|
2018
|
137 |
4 |
p. 1-11
|
artikel
|
| 8 |
Modeling magnetic circular dichroism within the polarizable embedding approach
|
Nørby, Morten Steen
|
|
2018
|
137 |
4 |
p. 1-8
|
artikel
|
| 9 |
Quantum chemical study on the reaction mechanism and kinetics of Cl-initiated oxidation of methyl n-propyl ether
|
Paul, Subrata
|
|
2018
|
137 |
4 |
p. 1-8
|
artikel
|
| 10 |
Structural and energetic properties of tautomeric forms of phosphonyl thioamides
|
Hanachi, Riadh
|
|
2018
|
137 |
4 |
p. 1-9
|
artikel
|
| 11 |
Structure, fragmentation patterns, and electronic properties of small indium oxide clusters
|
Aguilera-del-Toro, R. H.
|
|
2018
|
137 |
4 |
p. 1-17
|
artikel
|
| 12 |
The acid strength of the HClO4/n(AlF3) and HClO4/n(SbF5) (n = 1–3) Lewis–Brønsted superacids containing the excess of the Lewis acid component
|
Brzeski, Jakub
|
|
2018
|
137 |
4 |
p. 1-9
|
artikel
|
| 13 |
Theoretical investigation on the effect of fluorine and carboxylate substitutions on the performance of benzodithiophene-diketopyrrolopyrrole-based polymer solar cells
|
Zhao, Zhi-Wen
|
|
2018
|
137 |
4 |
p. 1-11
|
artikel
|
| 14 |
Theoretical perspectives on carbocation chemistry from energy decomposition analysis
|
Pontes, Rodrigo M.
|
|
2018
|
137 |
4 |
p. 1-10
|
artikel
|
| 15 |
Theoretical spectroscopy of a NIR-absorbing benziphthalocyanine dye
|
Verite, Pauline M.
|
|
2018
|
137 |
4 |
p. 1-9
|
artikel
|
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