| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio multi-reference perturbation theory calculations of the ground and some excited electronic states of the RbYb molecule
|
Shundalau, M.B.
|
|
2017
|
1103 |
C |
p. 11-16
6 p.
|
artikel
|
| 2 |
A DFT study of the electronic and magnetic properties of C36Si24 fullerenes
|
Bernal Texca, F.G.
|
|
2017
|
1103 |
C |
p. 1-10
10 p.
|
artikel
|
| 3 |
Artificial nodes in the H2 + wave functions expanded using Gaussian-type orbitals or Laguerre-type orbitals
|
Yamamoto, Shigeyoshi
|
|
2017
|
1103 |
C |
p. 17-24
8 p.
|
artikel
|
| 4 |
Combined DFT and NBO approach to analyze reactivity and stability of (CuS)n (n=1–12) clusters
|
Juárez-Sánchez, J. Octavio
|
|
2017
|
1103 |
C |
p. 71-82
12 p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
2017
|
1103 |
C |
p. IFC-
1 p.
|
artikel
|
| 6 |
Effect of additional donor group on the charge transfer/recombination dynamics of a photoactive organic dye: A quantum mechanical investigation
|
Biswas, Santu
|
|
2017
|
1103 |
C |
p. 38-47
10 p.
|
artikel
|
| 7 |
Electronic structure with rovibrational and dipole moment calculation of the diatomic molecules AsBr and AsI
|
Mourad, Khaled A.
|
|
2017
|
1103 |
C |
p. 63-70
8 p.
|
artikel
|
| 8 |
Interaction of nucleobases with silicene nanoribbon: A density functional approach
|
Alesheikh, Sara
|
|
2017
|
1103 |
C |
p. 32-37
6 p.
|
artikel
|
| 9 |
On structure and stability of pyrimidine ylidenes and their homologues
|
Kirilchuk, Andrey A.
|
|
2017
|
1103 |
C |
p. 83-91
9 p.
|
artikel
|
| 10 |
Substituent effect on the transport properties of dihydroazulene-based molecular optical switch: A way to tune the switching properties
|
Dai, Chang-Jie
|
|
2017
|
1103 |
C |
p. 48-55
8 p.
|
artikel
|
| 11 |
Theoretical investigation of the fragmentation mechanism of singly positively charged 5-methoxyflavone
|
Wang, Ying
|
|
2017
|
1103 |
C |
p. 25-31
7 p.
|
artikel
|
| 12 |
Theoretical investigation on the reaction of Methylidyne Radical (CH) with acetaldehyde (CH3CHO)
|
Wang, Yanqun
|
|
2017
|
1103 |
C |
p. 56-62
7 p.
|
artikel
|
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