| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Electrophilicity-based charge transfer for developing aquatic-quantitative structure toxicity relationships (Aqua-QSTR)
|
Arif, Zeeshan
|
|
|
142 |
4 |
|
artikel
|
| 2 |
First-principles calculations of SnCo as potential anode materials for high-performance lithium-ion batteries and beyond
|
Huang, Zhuonan
|
|
|
142 |
4 |
|
artikel
|
| 3 |
First-principles calculations on the micro-solvation of 3d-transition metal ions: solvation versus splitting water
|
Bhargav Kumar, Y.
|
|
|
142 |
4 |
|
artikel
|
| 4 |
Insights into the excited state hydrogen bond and proton transfer behaviors associated with solvent polarity for NHBQ fluorophore: a theoretical study
|
Dong, Hao
|
|
|
142 |
4 |
|
artikel
|
| 5 |
Structure and stability of a new set of noble gas insertion compounds, XNgOPO(OH)2 (X = F, Cl, Br; Ng = Kr, Xe, Rn): an in silico investigation
|
Pal, Ranita
|
|
|
142 |
4 |
|
artikel
|
| 6 |
Theoretical investigation of some transition metal sulfides nanomaterials: CDFT approach
|
Ranjan, Prabhat
|
|
|
142 |
4 |
|
artikel
|
| 7 |
The study of the PES and the reaction mechanism between ketene and Lithium Carbenoids and the formation of cyclopropanone
|
Villablanca, Daniel
|
|
|
142 |
4 |
|
artikel
|
| 8 |
Unveiling the mechanism, selectivity, solvent and temperature effects on the [3 + 2] cycloaddition reaction of N-methyl-C-(2-furyl) nitrone with maleimide derivatives from the molecular electron density theory perspective
|
Mellaoui, Moulay Driss
|
|
|
142 |
4 |
|
artikel
|
Tijdschrift beschrijving