| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
DFT study on the mechanistic details of the hydrolysis of dicyan using acetaldehyde as the first organocatalyst
|
Tavakol, Hossein
|
|
2019
|
1154 |
C |
p. 37-43
|
artikel
|
| 2 |
Editorial Board
|
|
|
2019
|
1154 |
C |
p. ii
|
artikel
|
| 3 |
Electronic structure of merocyanine dyes derived from 3H-indole and malononitrile in the ground and excited states: DFT/TD-DFT analysis
|
Kulinich, Andrii V.
|
|
2019
|
1154 |
C |
p. 50-56
|
artikel
|
| 4 |
Extended Born-Oppenheimer equations for non-Abelian situations: A study on NO3 radical and 1,3,5-C6H3 F 3 + radical cation
|
Mukherjee, Soumya
|
|
2019
|
1154 |
C |
p. 57-67
|
artikel
|
| 5 |
First-principle study on the conductance of benzene-based molecules with various bonding characteristics
|
He, Yuanyuan
|
|
2019
|
1154 |
C |
p. 1-10
|
artikel
|
| 6 |
Interaction and damage of nucleobases of DNA and RNA caused by silicon nanoparticle and crystalline silica: First principles study
|
Abbas, Haider
|
|
2019
|
1154 |
C |
p. 26-30
|
artikel
|
| 7 |
Solvent effect on Hetero-Diels-Alder reaction of isoselenazole with symmetrical acetylenic dienophiles: A MEDT study
|
Benallou, Abdelilah
|
|
2019
|
1154 |
C |
p. 17-25
|
artikel
|
| 8 |
Structural, magnetic and electronic properties of CunNi55−n (n = 0–55) nanoparticles: Combination artificial bee colony algorithm with DFT
|
Sun, Yan
|
|
2019
|
1154 |
C |
p. 11-16
|
artikel
|
| 9 |
Study on the spectral complementary composite dye molecules designed for high performance dye-sensitized solar cells: A theoretical investigation
|
Xie, Xiaoyin
|
|
2019
|
1154 |
C |
p. 44-49
|
artikel
|
| 10 |
Understanding the spontaneous formation of pyridofuroxan from 2-azido-3-nitropyridine: A theoretical evaluation
|
Vega-Rodríguez, Sarai
|
|
2019
|
1154 |
C |
p. 31-36
|
artikel
|
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