| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Cs+–π interactions and the design of macrocycles for the capture of environmental radiocesium (Cs-137): DFT, QTAIM, and CSD studies
|
Pichierri, Fabio
|
|
2018
|
137 |
8 |
p. 1-12
|
artikel
|
| 2 |
Dissociation and oxidation mechanism of methanol on Al12N12 cage: a DFT study
|
Zhang, Dandan
|
|
2018
|
137 |
8 |
p. 1-12
|
artikel
|
| 3 |
Estimation of heats of formation for nitrogen-rich cations using G3, G4, and G4 (MP2) theoretical methods
|
Nirwan, Ayushi
|
|
2018
|
137 |
8 |
p. 1-9
|
artikel
|
| 4 |
Ground and low-lying excited states of DyCl studied by the four-component relativistic configuration interaction methods
|
Yamamoto, Shigeyoshi
|
|
2018
|
137 |
8 |
p. 1-10
|
artikel
|
| 5 |
Hydrolysis of an organophosphorus pesticide: a theoretical investigation of the reaction mechanism for acephate
|
Chen, Rong
|
|
2018
|
137 |
8 |
p. 1-15
|
artikel
|
| 6 |
On the q-deformed exponential-type potentials
|
Ovando, G.
|
|
2018
|
137 |
8 |
p. 1-8
|
artikel
|
| 7 |
Scientific outline of Claudio Zicovich-Wilson
|
Ramírez-Solís, Alejandro
|
|
2018
|
137 |
8 |
p. 1-10
|
artikel
|
| 8 |
Simple computational screening of potential singlet fission molecules
|
Match, Christophe
|
|
2018
|
137 |
8 |
p. 1-12
|
artikel
|
| 9 |
Theoretical exploration of H2X (X = O, S, Se) and HY (Y = F, Cl, Br) assisted H2-release from ammonia-borane and related compounds: mechanistic insights from theoretical viewpoint
|
Ghosh, Avik
|
|
2018
|
137 |
8 |
p. 1-12
|
artikel
|
| 10 |
Theoretical investigations on stabilities, sensitivity, energetic performance and mechanical properties of CL-20/NTO cocrystal explosives by molecular dynamics simulation
|
Hang, Gui-Yun
|
|
2018
|
137 |
8 |
p. 1-14
|
artikel
|
| 11 |
The role of chlorine substituents in lichexanthones properties: the ionic and halogen bond interactions
|
Mostafavi, Najmeh
|
|
2018
|
137 |
8 |
p. 1-11
|
artikel
|
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