| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Addition and abstraction reaction mechanism of 2,4,5-trimethylphenol with OH radical – A first principle study
|
Aazaad, Basheer
|
|
2016
|
1092 |
C |
p. 90-107
18 p.
|
artikel
|
| 2 |
Adsorption of SO2 and NO2 on metal-doped boron nitride nanotubes: A computational study
|
Al-Sunaidi, Abdullah
|
|
2016
|
1092 |
C |
p. 108-113
6 p.
|
artikel
|
| 3 |
Editorial Board
|
|
|
2016
|
1092 |
C |
p. IFC-
1 p.
|
artikel
|
| 4 |
Effect of multiple and adjacent cage occupancies on host-guest interaction and NMR chemical shifts in gas hydrates
|
Kaur, Surinder Pal
|
|
2016
|
1092 |
C |
p. 57-67
11 p.
|
artikel
|
| 5 |
Effects of the crystal structure and thermodynamic stability on solubility of bioactive compounds: DFT study of isoniazid cocrystals
|
Voronin, Alexander P.
|
|
2016
|
1092 |
C |
p. 1-11
11 p.
|
artikel
|
| 6 |
Exploring the role of substituents on cooperativity between N⋯HF and CH⋯F hydrogen bonds in ternary systems involving aromatic azine: Substituted complexes of s-triazine:HF:s-triazine as a working model
|
Bagheri, Sotoodeh
|
|
2016
|
1092 |
C |
p. 12-18
7 p.
|
artikel
|
| 7 |
Mechanistic and kinetic study on the reaction of thiophene with hydroxyl radical
|
Zhang, Yunju
|
|
2016
|
1092 |
C |
p. 74-81
8 p.
|
artikel
|
| 8 |
Molecular dynamics simulation of oil detachment from calcite surface in aqueous surfactant solution
|
Yuan, Shundong
|
|
2016
|
1092 |
C |
p. 82-89
8 p.
|
artikel
|
| 9 |
Molecular modeling of a polymer nanocomposite model in water and chloroform solvents
|
de Oliveira, Osmair Vital
|
|
2016
|
1092 |
C |
p. 52-56
5 p.
|
artikel
|
| 10 |
Research on optoelectronic properties of GaN nanowires with N vacancy
|
Kong, Yike
|
|
2016
|
1092 |
C |
p. 19-24
6 p.
|
artikel
|
| 11 |
The effect of a strong cation⋯π interaction on a weak selenium⋯π interaction: A theoretical study
|
Saberinasab, Mahshid
|
|
2016
|
1092 |
C |
p. 41-46
6 p.
|
artikel
|
| 12 |
Theoretical investigation on structural and physicochemical properties of some ionic liquids
|
Ounissi, Ali
|
|
2016
|
1092 |
C |
p. 68-73
6 p.
|
artikel
|
| 13 |
Theoretical study of poly(azolyl)borane radical anions
|
Hou, Xiufang
|
|
2016
|
1092 |
C |
p. 25-31
7 p.
|
artikel
|
| 14 |
Theoretical study of the mechanism of an interfacial oxygen reduction reaction in the presence of a hydrazone ligand, its cobalt (II) complex and their conjugate acids as catalyst
|
Soleymani-Bonoti, Fatemeh
|
|
2016
|
1092 |
C |
p. 47-51
5 p.
|
artikel
|
| 15 |
Tuning the phosphorescence and quantum efficiency of heteroleptic Ir(III) complexes based on pyridine-tetrazole as an ancillary ligand: An overview from quantum chemical investigations
|
Urinda, Sharmistha
|
|
2016
|
1092 |
C |
p. 32-40
9 p.
|
artikel
|
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