| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
AgmRhn clusters with m+n≤55
|
Louis, Nicolas
|
|
|
140 |
4 |
|
artikel
|
| 2 |
Benchmarking density functional theory methods for modelling cationic metal–argon complexes
|
Delgado-Callico, Laia
|
|
|
140 |
4 |
|
artikel
|
| 3 |
Exploring the effects of quantum decoherence on the excited-state dynamics of molecular systems
|
Heller, Eric R.
|
|
|
140 |
4 |
|
artikel
|
| 4 |
Extracting vibrational anharmonicities from short driven molecular dynamics trajectories
|
Parneix, Pascal
|
|
|
140 |
4 |
|
artikel
|
| 5 |
Global optimization of ~ 1 nm MoS2 and CaCO3 nanoparticles
|
Hostaš, Jiří
|
|
|
140 |
4 |
|
artikel
|
| 6 |
Ground-to-excited derivative couplings for the density functional-based tight-binding method: semi-local and long-range corrected formulations
|
Niehaus, Thomas A.
|
|
|
140 |
4 |
|
artikel
|
| 7 |
Interaction of hydrogen with palladium–copper nanoalloys
|
Gómez Herranz, Alfonso
|
|
|
140 |
4 |
|
artikel
|
| 8 |
Theoretical perspective on the interaction of CO2 and H2O molecules with functionalized magnesium and scandium phthalocyanines
|
Arokiyanathan, Agnes Lincy
|
|
|
140 |
4 |
|
artikel
|
| 9 |
The structure of 1,3-butadiene clusters
|
Douady, J.
|
|
|
140 |
4 |
|
artikel
|
| 10 |
Topological characterization of hexagonal and rectangular tessellations of kekulenes as traps for toxic heavy metal ions
|
Arockiaraj, Micheal
|
|
|
140 |
4 |
|
artikel
|
| 11 |
Variational properties of auxiliary density functionals
|
Mejía-Rodríguez, Daniel
|
|
|
140 |
4 |
|
artikel
|
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