| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative assessment of density functional approximations for inner reorganization energy: insights from small molecules models with varying degrees of charge delocalization
|
Flores, Raul
|
|
|
144 |
6 |
|
artikel
|
| 2 |
Assessing spin-flip time-dependent density-functional-based tight-binding for describing Z/E photoisomerization reactions
|
Huix-Rotllant, Miquel
|
|
|
144 |
6 |
|
artikel
|
| 3 |
Energy-variance minimization for ground and excited states in the Lipkin model and its application to molecular magnets
|
Capuzzi, Pablo
|
|
|
144 |
6 |
|
artikel
|
| 4 |
Investigating low-barrier hydrogen-bonded-assisted proton tunneling in Fujikurin A–D molecules: a computational study
|
Nanni, Luca
|
|
|
144 |
6 |
|
artikel
|
| 5 |
Optoelectronic, linear and nonlinear optical properties of 2,5,8,11,14,17-hexa-tert-butyl-hexa-peri-hexabenzocoronene molecule and its derivatives
|
Yibain Khokho, Emmanuella Claudia
|
|
|
144 |
6 |
|
artikel
|
| 6 |
Theoretical investigation of reaction mechanisms of CoO+ with propane
|
Liu, Zhaochun
|
|
|
144 |
6 |
|
artikel
|
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