| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Adsorption studies on air pollutants using blue phosphorene nanosheet as a chemical sensor – DFT approach
|
Kannan, V.
|
|
|
1186 |
C |
p.
|
artikel
|
| 2 |
Aminated C20 fullerene as a promising nanosensor for detection of A-234 nerve agent
|
Motlagh, Nasim Mirzaei
|
|
|
1186 |
C |
p.
|
artikel
|
| 3 |
Designing N-phenylaniline-triazol configured donor materials with promising optoelectronic properties for high-efficiency solar cells
|
Mehboob, Muhammad Yasir
|
|
|
1186 |
C |
p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
|
1186 |
C |
p.
|
artikel
|
| 5 |
Electric field effects on organic photovoltaic heterojunction interfaces: The model case of pentacene/C60
|
Bai, Rui-Rong
|
|
|
1186 |
C |
p.
|
artikel
|
| 6 |
Interaction study of amino acid on novel Kagome phosphorene nanotube – A DFT outlook
|
Bhuvaneswari, R.
|
|
|
1186 |
C |
p.
|
artikel
|
| 7 |
Kinetics and mechanisms of the first step of ozonolysis of trans-isoprene
|
Mayorov, Alexey V.
|
|
|
1186 |
C |
p.
|
artikel
|
| 8 |
On the applicability of the MP2.5 approximation for open-shell systems. Case study of atmospheric reactivity
|
Suliman, Siba
|
|
|
1186 |
C |
p.
|
artikel
|
| 9 |
31P nuclear magnetic resonance, optical and thermal spectra in MP3 (M = Ir, Co, Rh, Ni) compounds by DFT
|
Shookoh, F. Amiri
|
|
|
1186 |
C |
p.
|
artikel
|
| 10 |
Quantum chemical study of molecular properties of AsXn (X = F and Cl, n = 1–5) and AsXn − (X = F and Cl, n = 1–6)
|
Kim, Joonghan
|
|
|
1186 |
C |
p.
|
artikel
|
| 11 |
Quantum mechanical study of human carbonic anhydrase II in complex with polyamines as novel inhibitors: Kinetic and thermodynamic investigation
|
Ghiasi, Mina
|
|
|
1186 |
C |
p.
|
artikel
|
| 12 |
Subsystems of many-electron system and reduced density matrices
|
Abarenkov, I.V.
|
|
|
1186 |
C |
p.
|
artikel
|
| 13 |
The interplay and the formation of σ-hole in the π···LiX and pseudo-π···LiX (X = F, Cl and CN) lithium bonds involving unsaturated and homocyclic hydrocarbons
|
Rego, D.G.
|
|
|
1186 |
C |
p.
|
artikel
|
| 14 |
Theoretical study of CH4 adsorption and dissociation on W-Cu(1 0 0) surface
|
Khettal, H.
|
|
|
1186 |
C |
p.
|
artikel
|
| 15 |
Theoretical study of the physicochemical characteristics for Boron-Germanium BGen (n = 1–20) clusters
|
Benaida, Meriem
|
|
|
1186 |
C |
p.
|
artikel
|
| 16 |
Thermochemical behavior of sorghum procyanidin trimers with C4–C8 and C4–C6 interflavan bonds in the reaction with superoxide anion radical and H2O2-forming NADH-oxidase flavoenzyme
|
Mendoza-Wilson, Ana María
|
|
|
1186 |
C |
p.
|
artikel
|
| 17 |
Tuning the structural, electronic and adsorption properties of Au-embedded 2D WSe2 and Arsenene nanosheets: A DFT study
|
Wang, Guoliang
|
|
|
1186 |
C |
p.
|
artikel
|
| 18 |
Twisted chromophore assist to tetrathiafulvalene-spiropyran hybrid driving four-state molecular switch
|
Zhao, Guo-Chen
|
|
|
1186 |
C |
p.
|
artikel
|
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