| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
DFT characterization on the effect of redox-inactive cation Ca2+ on water oxidation by CoII-based cuboidal catalyst
|
Su, Xiao-Fang
|
|
2019
|
1152 |
C |
p. 1-6
|
artikel
|
| 2 |
Diabatic and adiabatic representations: Electronic structure caveats
|
Yarkony, David R.
|
|
2019
|
1152 |
C |
p. 41-52
|
artikel
|
| 3 |
Editorial Board
|
|
|
2019
|
1152 |
C |
p. ii
|
artikel
|
| 4 |
Excited state dynamics of some nonsteroidal anti-inflammatory drugs: A surface-hopping investigation
|
Aguilera-Porta, Neus
|
|
2019
|
1152 |
C |
p. 20-27
|
artikel
|
| 5 |
First-principles studies on the doping effect of Nin−1TM (n = 13, 19, 55)
|
Song, Wei
|
|
2019
|
1152 |
C |
p. 32-40
|
artikel
|
| 6 |
Structure, stability, and electronic structure properties of quasi-fullerenes C n - q (n = 42, 48 and 60) doped with transition metal atoms (M = Sc, Ti, V and Cr): A Density Functional Theory study
|
Celaya, Christian A.
|
|
2019
|
1152 |
C |
p. 7-19
|
artikel
|
| 7 |
The damped Ehrenfest (D-Eh) method: Application to non-adiabatic reaction paths
|
Jenkins, Andrew J.
|
|
2019
|
1152 |
C |
p. 53-61
|
artikel
|
| 8 |
The Perlin effect in 2-halocyclohexanones and 2-halocyclohexanethiones
|
de Rezende, Fátima M.P.
|
|
2019
|
1152 |
C |
p. 28-31
|
artikel
|
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