| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate time-dependent density functional theory calculations of the near edge X-ray absorption fine structure of large systems
|
Skowron, Stephen T.
|
|
2012
|
131 |
9 |
p. 1-8
|
artikel
|
| 2 |
A comparative DFT study of the Schiff base formation from acetaldehyde and butylamine, glycine and phosphatidylethanolamine
|
Solís-Calero, Christian
|
|
2012
|
131 |
9 |
p. 1-12
|
artikel
|
| 3 |
Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations
|
Domingo, Alex
|
|
2012
|
131 |
9 |
p. 1-13
|
artikel
|
| 4 |
Molecular design of distorted push–pull porphyrins for dye-sensitized solar cells
|
Lee, Mi-Jung
|
|
2012
|
131 |
9 |
p. 1-12
|
artikel
|
| 5 |
On the free radical scavenging mechanism of protocatechuic acid, regeneration of the catechol group in aqueous solution
|
Galano, Annia
|
|
2012
|
131 |
9 |
p. 1-13
|
artikel
|
| 6 |
On the stability of single-walled carbon nanotubes and their binding strengths
|
Baran, Jakub D.
|
|
2012
|
131 |
9 |
p. 1-8
|
artikel
|
| 7 |
Theoretical analysis of charge-transfer electronic spectra of methylated benzenes—TCNE complexes including solvent effects: approaching experiment
|
Mach, Pavel
|
|
2012
|
131 |
9 |
p. 1-14
|
artikel
|
| 8 |
Theoretical studies of COOH group effect on the performance of rhenium (I) tricarbonyl complexes with bispyridine sulfur-rich core ligand as dyes in DSSC
|
Zhang, Ting-Ting
|
|
2012
|
131 |
9 |
p. 1-8
|
artikel
|
| 9 |
Why calcium inhibits magnesium-dependent enzyme phosphoserine phosphatase? A theoretical study
|
Yang, Ling
|
|
2012
|
131 |
9 |
p. 1-12
|
artikel
|
Tijdschrift beschrijving