| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparison of the stereo-dynamical information between S(1D)+H2 and S(1D)+HD Reactions
|
Su, Yan
|
|
2012
|
1002 |
C |
p. 9-15
7 p.
|
artikel
|
| 2 |
A density functional theory study on the intramolecular proton transfer in 6-thioguanine and alkali metal cations substituted derivatives (M-TG, M=Li+, Na+, K+)
|
Zhang, Jiao-Qiang
|
|
2012
|
1002 |
C |
p. 37-42
6 p.
|
artikel
|
| 3 |
An extensive methodological theoretical study of the kinetics of the benzylperoxy radical isomerization
|
Canneaux, Sébastien
|
|
2012
|
1002 |
C |
p. 64-70
7 p.
|
artikel
|
| 4 |
Density-functional investigation of the geometries, stabilities, electronic, and magnetic properties of gold cluster anions doped with aluminum: Au n Al - (1⩽ n ⩽8)
|
Wang, Chen-Ju
|
|
2012
|
1002 |
C |
p. 31-36
6 p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
2012
|
1002 |
C |
p. IFC-
1 p.
|
artikel
|
| 6 |
Exploring structures, electronic and reactivity properties of Au6H n (n =1–12) clusters: A DFT approach
|
Baishya, Subhi
|
|
2012
|
1002 |
C |
p. 1-8
8 p.
|
artikel
|
| 7 |
Gas phase structural stability of neutral and zwitterionic forms of alanine in presence of (H2O) n =1–7 clusters: A density functional theory study
|
Ojha, Animesh K.
|
|
2012
|
1002 |
C |
p. 16-23
8 p.
|
artikel
|
| 8 |
Generally contracted valence–core/valence basis sets for use with relativistic effective core potentials and spin–orbit coupling operators
|
Ermler, Walter C.
|
|
2012
|
1002 |
C |
p. 24-30
7 p.
|
artikel
|
| 9 |
Geometrical structures of gold clusters on Gupta and Sutton-Chen potentials
|
Wu, Xia
|
|
2012
|
1002 |
C |
p. 43-48
6 p.
|
artikel
|
| 10 |
Isothermal crystallization of a single polyethylene chain induced by graphene: A molecular dynamics simulation
|
Wang, Li-zhi
|
|
2012
|
1002 |
C |
p. 59-63
5 p.
|
artikel
|
| 11 |
Theoretical study on interactions between ionic liquids and organosulfur compounds
|
Lü, Renqing
|
|
2012
|
1002 |
C |
p. 49-58
10 p.
|
artikel
|
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