| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Activation modelling of β- and γ-class of carbonic anhydrase with amines and amino acids: Proton transfer process within the active site from thermodynamic point of view
|
Ghiasi, Mina
|
|
2017
|
1109 |
C |
p. 42-57
16 p.
|
artikel
|
| 2 |
Application of pristine and Ni-decorated B12P12 nano-clusters as superior media for acetylene and ethylene adsorption: DFT calculations
|
Rad, Ali Shokuhi
|
|
2017
|
1109 |
C |
p. 1-9
9 p.
|
artikel
|
| 3 |
Characterization of charge transfer mechanisms in the molecular capacitor β-DiCC[Ni(dmit)2] using TD-DFT methods
|
Rodríguez-Salcedo, Jhojanis
|
|
2017
|
1109 |
C |
p. 36-41
6 p.
|
artikel
|
| 4 |
Closed systems of equations of correlation functions of currents for heterogeneous DNA fragments and polarons
|
Ponomarev, O.A.
|
|
2017
|
1109 |
C |
p. 19-26
8 p.
|
artikel
|
| 5 |
Density functional theory calculations on the adsorption of monomethylarsonic acid onto hydrated iron (oxyhydr)oxide clusters
|
Adamescu, Adrian
|
|
2017
|
1109 |
C |
p. 58-63
6 p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
2017
|
1109 |
C |
p. IFC-
1 p.
|
artikel
|
| 7 |
The guanylated bioamine agmatine – A theoretical investigation of its structure and exceptional high basicity in the gas phase
|
Raczyńska, Ewa D.
|
|
2017
|
1109 |
C |
p. 10-18
9 p.
|
artikel
|
| 8 |
Theoretical investigation into the influence of molar ratio on binding energy, mechanical property and detonation performance of 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclo octane (HMX)/1-methyl-4,5-dinitroimidazole (MDNI) cocrystal explosive
|
Han, Gang
|
|
2017
|
1109 |
C |
p. 27-35
9 p.
|
artikel
|
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