| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Aggregated ion pairs of [MIM+][N(CN)2 −]2 ionic liquid: A quantum chemical study in solvents with different dielectric constants
|
Roohi, Hossein
|
|
2014
|
1037 |
C |
p. 70-79
10 p.
|
artikel
|
| 2 |
A interpretation of stepwise bond dissociation energies of CH4
|
Lü, Renqing
|
|
2014
|
1037 |
C |
p. 10-13
4 p.
|
artikel
|
| 3 |
A theoretical investigation of NO3-initiated oxidation of toluene
|
Huang, Mingqiang
|
|
2014
|
1037 |
C |
p. 63-69
7 p.
|
artikel
|
| 4 |
Characterizing the multiple non-covalent interactions in N, S-heterocycles–diiodine complexes with focus on halogen bonding
|
Bartashevich, E.V.
|
|
2014
|
1037 |
C |
p. 53-62
10 p.
|
artikel
|
| 5 |
Density functional study of CH3OH binding on small cationic Cu n Au m + (n + m ⩽5) clusters
|
Zhao, Shuang
|
|
2014
|
1037 |
C |
p. 14-21
8 p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
2014
|
1037 |
C |
p. IFC-
1 p.
|
artikel
|
| 7 |
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases
|
Barone, Vincenzo
|
|
2014
|
1037 |
C |
p. 35-48
14 p.
|
artikel
|
| 8 |
Ground state surface formation of Cl2 in the dissociation of CCl4 and CHCl3 and comparisons with Br species
|
McDonald, Ken J.
|
|
2014
|
1037 |
C |
p. 28-34
7 p.
|
artikel
|
| 9 |
Homolytic and heterolytic O–H bond cleavage in trans-resveratrol and some phenantrene analogs: A theoretical study
|
Benayahoum, Ali
|
|
2014
|
1037 |
C |
p. 1-9
9 p.
|
artikel
|
| 10 |
Oxidation mechanism of dibenzothiophene compounds: A computational study
|
Zeng, Xingye
|
|
2014
|
1037 |
C |
p. 22-27
6 p.
|
artikel
|
| 11 |
Polar and stereoelectronic effects on the structural and spectroscopic properties of halomethanols
|
Silla, Josué M.
|
|
2014
|
1037 |
C |
p. 49-52
4 p.
|
artikel
|
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