| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Activation of carboplatin by chloride ions: a theoretical investigation
|
Ciancetta, Antonella
|
|
2011
|
129 |
6 |
p. 757-769
|
artikel
|
| 2 |
An atomistic model for simulations of nilotinib and nilotinib/kinase binding
|
Valeyev, Najl V.
|
|
2011
|
129 |
6 |
p. 747-756
|
artikel
|
| 3 |
Computational study on the reaction of CH3SCH2CH3 with OH radical: mechanism and enthalpy of formation
|
Cao, Jia
|
|
2011
|
129 |
6 |
p. 771-780
|
artikel
|
| 4 |
DFT study of structure–properties correlations in [MnTPP][TCNE] quasi-one-dimensional molecular magnets
|
Oprea, Corneliu I.
|
|
2011
|
129 |
6 |
p. 847-857
|
artikel
|
| 5 |
Electronic spectra of the linear cationic chains NC2nN+ (n = 1–7): an ab initio study
|
Zhao, Yuan
|
|
2011
|
129 |
6 |
p. 793-801
|
artikel
|
| 6 |
Exploration of cyclopropyl radical ring opening to allyl radical by Newton trajectories: importance of valley-ridge inflection points to understand the topography
|
Quapp, Wolfgang
|
|
2011
|
129 |
6 |
p. 803-821
|
artikel
|
| 7 |
QM/MM study on catalytic mechanism of aspartate racemase from Pyrococcus horikoshii OT3
|
Zhang, Chenghua
|
|
2011
|
129 |
6 |
p. 781-791
|
artikel
|
| 8 |
Theoretical study on photophysical properties of 2,1,3-benzothiadiazole-based star-shaped molecules
|
Liu, Ying-Fang
|
|
2011
|
129 |
6 |
p. 833-845
|
artikel
|
| 9 |
Theoretical study on the reaction of hydrogen atoms with aniline
|
Batiha, Marwan
|
|
2011
|
129 |
6 |
p. 823-832
|
artikel
|
| 10 |
Thermodynamic limit and size-consistent design
|
Hirata, So
|
|
2011
|
129 |
6 |
p. 727-746
|
artikel
|
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