| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile
|
Ramos, Tárcius N.
|
|
2017
|
136 |
7 |
p. 1-9
|
artikel
|
| 2 |
Benchmarking density functionals and Gaussian basis sets for calculation of core-electron binding energies in amino acids
|
Tolbatov, Iogann
|
|
2017
|
136 |
7 |
p. 1-16
|
artikel
|
| 3 |
Insights into the interactions of biomolecules with small gold clusters: a theoretical study from a DFTB perspective
|
Domínguez-Castro, Adrian
|
|
2017
|
136 |
7 |
p. 1-12
|
artikel
|
| 4 |
Perturbed reactivity descriptors: the chemical hardness
|
Miranda-Quintana, Ramón Alain
|
|
2017
|
136 |
7 |
p. 1-8
|
artikel
|
| 5 |
Simple correlated wave-function for excitons in 0D, quasi-1D and quasi-2D quantum dots
|
Planelles, Josep
|
|
2017
|
136 |
7 |
p. 1-16
|
artikel
|
| 6 |
Structural effects in octahedral carbonyl complexes: an atoms-in-molecules study
|
Tognetti, Vincent
|
|
2017
|
136 |
7 |
p. 1-12
|
artikel
|
| 7 |
Substrate-mediated single-atom isolation: dispersion of Ni and La on γ-graphyne
|
Kim, Sunkyung
|
|
2017
|
136 |
7 |
p. 1-9
|
artikel
|
| 8 |
The ANANKE relative energy gradient (REG) method to automate IQA analysis over configurational change
|
Thacker, Joseph C. R.
|
|
2017
|
136 |
7 |
p. 1-13
|
artikel
|
| 9 |
The application of TD-DFT to excited states of a family of TPD molecules interesting for optoelectronic use
|
Hernández-Verdugo, Elisa
|
|
2017
|
136 |
7 |
p. 1-11
|
artikel
|
| 10 |
The [3+2] cycloaddition reaction in CpRu(allyl)(acetylene)
|
Frangi, Natalie M.
|
|
2017
|
136 |
7 |
p. 1-9
|
artikel
|
| 11 |
Theoretical study of metal-doped β-Ga2O3 photocatalysts for overall water splitting
|
Qiu, Xiaowei
|
|
2017
|
136 |
7 |
p. 1-7
|
artikel
|
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