| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate MRCI study of the low-lying electronic states of the AlS molecule
|
Zhu, Zunlue
|
|
|
1195 |
C |
p.
|
artikel
|
| 2 |
Adsorption and sensing performance of CO, NO and O2 gas on Janus structure WSTe monolayer
|
Dou, Hongrui
|
|
|
1195 |
C |
p.
|
artikel
|
| 3 |
Adsorption of NH3 and NO2 molecules on the carbon doped C3N monolayer: A first principles study
|
Lv, Yuping
|
|
|
1195 |
C |
p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
|
1195 |
C |
p.
|
artikel
|
| 5 |
Evaluation of structural properties and antioxidant capacity of Proxison: A DFT investigation
|
Rouhani, Morteza
|
|
|
1195 |
C |
p.
|
artikel
|
| 6 |
Evaluation of structural, spectroscopic, bonding and electronic properties of some organotin(IV)-phosphoric triamide complexes by using help of DFT, QTAIM and Hirshfeld surface investigations
|
Fallah baneh kohal, Raheleh
|
|
|
1195 |
C |
p.
|
artikel
|
| 7 |
Improving the gas sensing performance of MoS2 nanosheets through silver adsorption: A theoretical study
|
Lv, Yuping
|
|
|
1195 |
C |
p.
|
artikel
|
| 8 |
Out with the old, in with the new
|
Thakkar, Ajit J.
|
|
|
1195 |
C |
p.
|
artikel
|
| 9 |
Probing the halogen bond donation ability of multivalent At-center in AtXn (X = Cl, Br, I; n = 1, 3, 5)⋯H2O/H2S complexes
|
Yang, Qingyuan
|
|
|
1195 |
C |
p.
|
artikel
|
| 10 |
Structural and electronic properties of PtnSi12 (n = 1–4) clusters: Quantum chemical calculations
|
Lu, Sheng-Jie
|
|
|
1195 |
C |
p.
|
artikel
|
| 11 |
The 1,3-dipolar cycloaddition of adamantine-derived nitrones with maleimides: A computational study
|
Umar, Abdul Rashid
|
|
|
1195 |
C |
p.
|
artikel
|
| 12 |
The nature of the Sulfur-Metallic bonds (Metal = Ni, Pd and Pt) in doped gold nanoclusters: A density functional approach
|
Chen, Ge
|
|
|
1195 |
C |
p.
|
artikel
|
| 13 |
Theoretical design and exploration of low-valent uranium metallocenes via manipulating cyclopentadienyl substituent
|
Su, Dong-Mei
|
|
|
1195 |
C |
p.
|
artikel
|
| 14 |
Tuning the activity of nitrogen mustards with heterocyclic substituents at nitrogen: A DFT study
|
Mazumdar, Pradyumna
|
|
|
1195 |
C |
p.
|
artikel
|
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