| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A DFT study on the mechanisms of hydrogenation and hydrosilylation of nitrous oxide catalyzed by a ruthenium PNP pincer complex
|
Yao, Lanying
|
|
2018
|
1128 |
C |
p. 48-55
|
artikel
|
| 2 |
Beyond the σ-hole and π-hole: The origin of the very large electrophilic regions of fullerenes and carbon nanotubes
|
Zhang, Yu
|
|
2018
|
1128 |
C |
p. 56-59
|
artikel
|
| 3 |
Carbon dioxide capture by nitrogen containing organic materials – A density functional theory investigation
|
Dash, Bibek
|
|
2018
|
1128 |
C |
p. 1-14
|
artikel
|
| 4 |
Computational modelling of donor-acceptor-donor conjugated polymers based on benzothiadiazole
|
Civcir, Pervin Ünal
|
|
2018
|
1128 |
C |
p. 70-82
|
artikel
|
| 5 |
Editorial Board
|
|
|
2018
|
1128 |
C |
p. ii
|
artikel
|
| 6 |
Effect of torsional motion on the 13C, 1H and 19F NMR chemical shifts in 2,2′-difluorobiphenyl
|
Buzari, Behnaz
|
|
2018
|
1128 |
C |
p. 42-47
|
artikel
|
| 7 |
Low-dimensional nanocomplexes based on planar tetracoordinate Si/Ge: Nanoribbons X n Ni2 n +2Cl2 n +2 (X = Si, Ge) and nanotubes Si n Ni2 n Cl2 n
|
Guo, Jin-Chang
|
|
2018
|
1128 |
C |
p. 24-30
|
artikel
|
| 8 |
Structure and stability of AlnMgm (n = 4–8, m = 1–3) clusters: Genetic algorithm and density functional theory approach
|
Wang, Jieqiong
|
|
2018
|
1128 |
C |
p. 15-23
|
artikel
|
| 9 |
Theoretical study of LuH molecule: Potential energy curves, spectroscopic constants and spin-orbit couplings
|
Assaf, Joumana
|
|
2018
|
1128 |
C |
p. 31-41
|
artikel
|
| 10 |
Theoretical study on functionalized anthracene and tetraceneas starting species to produce promising semiconductor materials
|
Oshi, Rowa
|
|
2018
|
1128 |
C |
p. 60-69
|
artikel
|
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