| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Alkali metal doped nickel oxide clusters: A density functional study
|
Kumavat, Sandip
|
|
2014
|
1035 |
C |
p. 19-27
9 p.
|
artikel
|
| 2 |
A theoretical investigation into the cooperativity effect involving anionic hydrogen bond, thermodynamic property and aromaticity in Cl−⋯benzonitrile⋯H2O ternary complex
|
Zhao, Guang-ming
|
|
2014
|
1035 |
C |
p. 76-83
8 p.
|
artikel
|
| 3 |
Calix[n]arene-based drug carriers: A DFT study of their electronic interactions with a chemotherapeutic agent used against leukemia
|
Galindo-Murillo, Rodrigo
|
|
2014
|
1035 |
C |
p. 84-91
8 p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
2014
|
1035 |
C |
p. IFC-
1 p.
|
artikel
|
| 5 |
Evaluation of the binding energy for hydrogen-bonded complexes containing amides and peptides
|
Li, Shu-Shi
|
|
2014
|
1035 |
C |
p. 6-13
8 p.
|
artikel
|
| 6 |
Iron complexes of nanodiamond: Theoretical approach
|
Mar, Naveicy
|
|
2014
|
1035 |
C |
p. 1-5
5 p.
|
artikel
|
| 7 |
Mechanisms for reactions of trimethylaluminum with molecular oxygen and water
|
Nguyen, Hue M.T.
|
|
2014
|
1035 |
C |
p. 39-43
5 p.
|
artikel
|
| 8 |
Reaction pathway for reactivation and aging of paraoxon-inhibited-acetylcholinesterase: A QM/MM study
|
Tang, Xiaowen
|
|
2014
|
1035 |
C |
p. 44-50
7 p.
|
artikel
|
| 9 |
The effect of electric field on Ti-decorated graphyne for hydrogen storage
|
Zhang, Lihong
|
|
2014
|
1035 |
C |
p. 68-75
8 p.
|
artikel
|
| 10 |
Theoretical study of electronic structures and opto-electronic properties of iridium(III) complexes containing benzoxazole derivatives and different ancillary β-diketonate ligands
|
Srivastava, Ruby
|
|
2014
|
1035 |
C |
p. 51-59
9 p.
|
artikel
|
| 11 |
Theoretical study on the SiH4 − n Cl n (n =0–4) reaction mechanisms for polysilicon production process
|
Ran, Yi
|
|
2014
|
1035 |
C |
p. 60-67
8 p.
|
artikel
|
| 12 |
The role of diisocyanate and soft segment on the intersegmental interactions in urethane and urea based segmented copolymers: A DFT study
|
Yildirim, Erol
|
|
2014
|
1035 |
C |
p. 28-38
11 p.
|
artikel
|
| 13 |
Wigner high electron correlation regime in nonuniform electron density systems: Kinetic and correlation-kinetic aspects
|
Achan, Doug
|
|
2014
|
1035 |
C |
p. 14-18
5 p.
|
artikel
|
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