| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Adsorption of sarin on zigzag boron-nitride nanotubes (BNNTs) via DFT
|
Behmagham, Farnaz
|
|
|
1243 |
C |
p.
|
artikel
|
| 2 |
A quantum investigation of kinetic isotope effects in the Ne + HD + (v=0) → NeH + /NeD + + D/H reaction
|
Wu, Hui
|
|
|
1243 |
C |
p.
|
artikel
|
| 3 |
Binuclear complexes of all first row 3d metals (Sc to Zn) with a cyclic N4-tetradentate ligand: metal-metal bond strengths and bond orders
|
Sultana, Salma
|
|
|
1243 |
C |
p.
|
artikel
|
| 4 |
Computational investigation of magnetic field effect on thermal function of diatomic molecules with anharmonic oscillator potential
|
Ghanbari, Ahmad
|
|
|
1243 |
C |
p.
|
artikel
|
| 5 |
DFT-based, Monte Carlo and Grand Canonical Monte Carlo simulations of nitro-organic pollutants 4-nitrophenol, 2-nitrophenol, 9-nitroanthracene and nitrogen trifluoride interacting with water in zeolite imidazole framework (ZIF-8)
|
Adjal, Celia
|
|
|
1243 |
C |
p.
|
artikel
|
| 6 |
DFT insights into multifaceted properties of GaCaX3 (X = Cl, Br, I) inorganic cubic halide perovskites for advanced optoelectronic applications
|
Riaz, Muhammad
|
|
|
1243 |
C |
p.
|
artikel
|
| 7 |
−DFT study of the adsorption of temozolamide anticancer drugs on the TM-adsorbed WSe2 nanocarriers: Applications to drug delivery systems
|
M. A. Altalbawy, Farag
|
|
|
1243 |
C |
p.
|
artikel
|
| 8 |
Dopamine interaction with DNA/RNA aptamers: Molecular dynamics simulation
|
Sharifian, Majid
|
|
|
1243 |
C |
p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
|
1243 |
C |
p.
|
artikel
|
| 10 |
Geometrical features, stability and hydrogen positions in (Al2Cu)n clusters
|
Wang, Xi
|
|
|
1243 |
C |
p.
|
artikel
|
| 11 |
Investigating optical, electronic, and thermoelectric properties of X2ScIO6 (X = K, Rb, and Cs) double perovskite semiconductors for green energy applications
|
Hayat, Saleh
|
|
|
1243 |
C |
p.
|
artikel
|
| 12 |
Investigation of the adsorption behavior of the adenine nucleobase molecules on the WS2 nanosheets and their transition metal (Co, Ni) modified structures via DFT
|
Altalbawy, Farag M.A.
|
|
|
1243 |
C |
p.
|
artikel
|
| 13 |
Investigation of the adsorption behaviors of novel Au3 cluster decorated arsenene nanosheets towards thiophene and methanethiol detection: A DFT study
|
Altalbawy, Farag M.A.
|
|
|
1243 |
C |
p.
|
artikel
|
| 14 |
Molecular dynamics insight of interaction between Artemisinin and its derivatives and the cancer cell membrane
|
Boroomand, Samaneh
|
|
|
1243 |
C |
p.
|
artikel
|
| 15 |
N-Boron-pyrrole: A negative charge stabilizing group
|
Valadbeigi, Younes
|
|
|
1243 |
C |
p.
|
artikel
|
| 16 |
Role of substitution Zr-site on the electronic structure and magnetic properties of BaTiO3 materials: A first principles calculation
|
Lam, Vu Tien
|
|
|
1243 |
C |
p.
|
artikel
|
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