| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accuracy of electronic density calculated using an optimally tuned range-separated hybrid functional
|
Sarkar, Soumyajit
|
|
|
142 |
1 |
|
artikel
|
| 2 |
Degradation by hydrolysis of three triphenylmethane dyes: DFT and TD-DFT study
|
Taharchaouche, Djamel
|
|
|
142 |
1 |
|
artikel
|
| 3 |
Designing metal-free organic superalkalis by modifying benzene: a theoretical perspective
|
Sarkar, Subhendu
|
|
|
142 |
1 |
|
artikel
|
| 4 |
First principles study on stability of base and precious metals pentlandite-like compounds
|
Molala, Kgwajana B.
|
|
|
142 |
1 |
|
artikel
|
| 5 |
Janus behavior of Au atoms interacting with fluorine
|
Banjade, Huta
|
|
|
142 |
1 |
|
artikel
|
| 6 |
MP2 study of the adsorption of CO2 onto the water monomer, dimer and trimer
|
Lawson, Daniel B.
|
|
|
142 |
1 |
|
artikel
|
| 7 |
New Au(III)- and Fe(III)-based complexes of bio-pharmacological interest: DFT and in silico studies
|
Arbia, Yassamina
|
|
|
142 |
1 |
|
artikel
|
| 8 |
Origin invariant molecular orbital decomposition of optical rotation
|
Balduf, Ty
|
|
|
142 |
1 |
|
artikel
|
| 9 |
Pure and Cu, Fe, and Zn-doped CNTs as novel drug carriers for dacarbazine
|
Yazarloo, Sahar
|
|
|
142 |
1 |
|
artikel
|
| 10 |
Study of the hydrogen evolution properties of cluster ConMoS (n = 1–5) using density functional theory
|
Wang, Zhi-Yao
|
|
|
142 |
1 |
|
artikel
|
| 11 |
The antioxidant activity of N-E-caffeoyl and N-E-feruloyl tyramine conformers and their sulfured analogs contribution: density functional theory studies
|
Bahloul, Asma
|
|
|
142 |
1 |
|
artikel
|
| 12 |
Theoretical investigation of the structure and spectroscopy of uranium oxide species
|
Yousfi, Houssyen
|
|
|
142 |
1 |
|
artikel
|
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