| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A DFT study on the catalytic ability of aluminum doped graphene for the initial steps of the conversion of methanol to gasoline
|
Shahabi, Dana
|
|
2018
|
1127 |
C |
p. 8-15
|
artikel
|
| 2 |
DFT investigation on the decomposition of dihydrogen-bonded methylamine-borane octamer
|
Liu, Bingping
|
|
2018
|
1127 |
C |
p. 1-7
|
artikel
|
| 3 |
Editorial Board
|
|
|
2018
|
1127 |
C |
p. ii
|
artikel
|
| 4 |
Mechanistic insight into the ruthenium-catalyzed cycloaddition of diynes with 2,3-diphenyl-2H-azirines: A theoretical study
|
Liu, Ruiqiu
|
|
2018
|
1127 |
C |
p. 16-21
|
artikel
|
| 5 |
Modified B function basis sets with generalized hyperbolic cosine functions
|
Erturk, M.
|
|
2018
|
1127 |
C |
p. 37-43
|
artikel
|
| 6 |
O2 activation and CO oxidation on n-p codoped h-BN single-atom catalysts
|
Wang, Xiaonan
|
|
2018
|
1127 |
C |
p. 31-36
|
artikel
|
| 7 |
Recognition of trans and gauche phenylethylamine conformers in the active site of human monoamine oxidase B: A MD-simulation and DFT studies
|
Dasgupta, Subrata
|
|
2018
|
1127 |
C |
p. 44-51
|
artikel
|
| 8 |
The activated complex position on the reaction coordinate and the problem of curvature-linearity of the Bronsted relation
|
Romanskii, I.A.
|
|
2018
|
1127 |
C |
p. 52-63
|
artikel
|
| 9 |
Theoretical insight into the effect of solvent polarity on the formation and morphology of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20)/2,4,6-trinitro-toluene(TNT) cocrystal explosive
|
Wu, Chun-lei
|
|
2018
|
1127 |
C |
p. 22-30
|
artikel
|
Tijdschrift beschrijving