| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A B3LYP and MP2 theoretical investigation into the synergetic effect between the O/NH⋯O and O/NH⋯F− anionic hydrogen-bonding interactions in N-(Hydroxymethyl)acetamide complex with F−
|
Feng, Guo-rui
|
|
2013
|
1014 |
C |
p. 68-79
12 p.
|
artikel
|
| 2 |
Comparative study of the D 5h and I h isomers of Sc3NC@C80 and Sc3N@C80
|
Gao, Yuguo
|
|
2013
|
1014 |
C |
p. 56-59
4 p.
|
artikel
|
| 3 |
Density functional studies of magic clusters Ga13M(M=Li, Na, K, and Rb)
|
Tang, Chunmei
|
|
2013
|
1014 |
C |
p. 8-12
5 p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
2013
|
1014 |
C |
p. IFC-
1 p.
|
artikel
|
| 5 |
First-principles study of hydronitrogen compounds: Molecular crystalline NH4N3 and N2H5N3
|
Liu, Qi-Jun
|
|
2013
|
1014 |
C |
p. 37-42
6 p.
|
artikel
|
| 6 |
Homolytic N–H bond cleavage in anilines: Energetics and substituent effect
|
Vagánek, Adam
|
|
2013
|
1014 |
C |
p. 60-67
8 p.
|
artikel
|
| 7 |
Influence of conformation on the absorption spectra of flexible organic dyes used in dye-sensitized solar cells
|
Fukunishi, Hiroaki
|
|
2013
|
1014 |
C |
p. 29-36
8 p.
|
artikel
|
| 8 |
TD-DFT study on the charge-transfer excitations of anions possessing double or triple bonds
|
Kozłowska, Justyna
|
|
2013
|
1014 |
C |
p. 49-55
7 p.
|
artikel
|
| 9 |
Theoretical study of hydrogen and halogen bond interactions of methylphosphines with hypohalous acids
|
Zabardasti, Abedien
|
|
2013
|
1014 |
C |
p. 1-7
7 p.
|
artikel
|
| 10 |
Theoretical study on the mechanism and kinetics for the reaction of HNCO with CN radical: HNCO+CN→HCN+NCO or HNCO+CN→HNCN+CO?
|
Sun, Cuihong
|
|
2013
|
1014 |
C |
p. 43-48
6 p.
|
artikel
|
| 11 |
Theoretical study on the mechanism of the reaction of alkylmethylimidazolium cation with benzaldehyde involved in the base-catalyzed Baylis–Hillman reaction
|
Wei, Xiaofeng
|
|
2013
|
1014 |
C |
p. 24-28
5 p.
|
artikel
|
| 12 |
What do the azobenzene oligomer helixes have to do with the Golden Ratio?
|
Benassi, Enrico
|
|
2013
|
1014 |
C |
p. 13-23
11 p.
|
artikel
|
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