| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A DFT study on the reaction mechanisms of phosphonation of heteroaryl N-oxides with H-phosphonates
|
Zhang, Wei
|
|
2015
|
1071 |
C |
p. 33-38
6 p.
|
artikel
|
| 2 |
Computational study on stereoselective synthesis of substituted 1H-tetrazoles via a click reaction: DFT and QTAIM approaches
|
Hosseinnejad, Tayebeh
|
|
2015
|
1071 |
C |
p. 53-60
8 p.
|
artikel
|
| 3 |
Corrigendum to “Possibility of distinguishing DNA bases and of tracking the keto–enol tautomerism by using high-order harmonic generation” [Comput. Theoret. Chem. 1043 (2014) 31–37]
|
Hoang, Van-Hung
|
|
2015
|
1071 |
C |
p. 68-
1 p.
|
artikel
|
| 4 |
Density functional theory calculation of μ-oxo and μ-hydroxo bridged iron(III) aqua dimer complexes in perfluorinated sulfonic acid ionomer membranes
|
Yamaguchi, Makoto
|
|
2015
|
1071 |
C |
p. 61-67
7 p.
|
artikel
|
| 5 |
DFT investigations for “Fischer” esterification mechanism over silica-propyl-SO3H catalyst: Is the reaction reversible?
|
Vafaeezadeh, Majid
|
|
2015
|
1071 |
C |
p. 27-32
6 p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
2015
|
1071 |
C |
p. IFC-
1 p.
|
artikel
|
| 7 |
Hydrogen trapping potential of (HF) m (m =1–8) and (H2O) n (n =1–10) clusters
|
Mondal, Sukanta
|
|
2015
|
1071 |
C |
p. 18-26
9 p.
|
artikel
|
| 8 |
Insight into the structural and electronic properties of Pd55− n Ni n (n =0–55) clusters: A density functional theory study
|
Zhu, Jianxiu
|
|
2015
|
1071 |
C |
p. 9-17
9 p.
|
artikel
|
| 9 |
Methodologies and applications of Fisher coefficient
|
Meressa Abrha Welearegay,
|
|
2015
|
1071 |
C |
p. 1-8
8 p.
|
artikel
|
| 10 |
The properties of hydrogenated derivatives of the alkali atom coated clusters C6M6 (M=Li, Na): A density functional study
|
Tang, Chunmei
|
|
2015
|
1071 |
C |
p. 46-52
7 p.
|
artikel
|
| 11 |
Tuning the catalytic activity of Ag–Pd alloy cluster for hydrogen dissociation by controlling the Pd ratio
|
Zhang, Yanxing
|
|
2015
|
1071 |
C |
p. 39-45
7 p.
|
artikel
|
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