| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Analysis and assessment of the structural, electronic properties of (ZrH2)n (n = 5–24) clusters: Density function theory calculations
|
Khan, Muhammad Amin
|
|
|
1188 |
C |
p.
|
artikel
|
| 2 |
Can a quantum mechanical cluster model explain the special stereospecificity of glyoxalase I?
|
Parvaneh, Samaneh
|
|
|
1188 |
C |
p.
|
artikel
|
| 3 |
Defective boron carbide monolayer as a chemical sensor for dopamine drug
|
Dang, Chenlu
|
|
|
1188 |
C |
p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
|
1188 |
C |
p.
|
artikel
|
| 5 |
Effects of intramolecular hydrogen bond and electron delocalization on the basicity of proton sponges and superbases with benzene, pyridine, pyrazine and pyrimidine scaffolds
|
Valadbeigi, Younes
|
|
|
1188 |
C |
p.
|
artikel
|
| 6 |
Hexabenzocoronene functionalized with porphyrin and P-core-modified porphyrin: A comparative computational study
|
Kuznetsov, Aleksey E.
|
|
|
1188 |
C |
p.
|
artikel
|
| 7 |
Mechanism study on the oxidation of ethylbenzene: A theoretical and computational approach
|
Tang, Yihan
|
|
|
1188 |
C |
p.
|
artikel
|
| 8 |
Multi-reference perturbation theory study on the RaCl molecule promising for the laser cooling
|
Osika, Yuliya
|
|
|
1188 |
C |
p.
|
artikel
|
| 9 |
Quantum chemical modeling of spontaneous reactions of N2O4 with hydrazines in CCl4 solution at low temperature
|
Huyen, Trinh Le
|
|
|
1188 |
C |
p.
|
artikel
|
| 10 |
Quantum dynamical study of rotational excitation of CO+ (X 2Σ+) by He collisions
|
Anusuri, Bhargava
|
|
|
1188 |
C |
p.
|
artikel
|
| 11 |
Structure-dependent spin transport in a DNA molecule
|
Matsuura, Yukihito
|
|
|
1188 |
C |
p.
|
artikel
|
| 12 |
The interaction of gas molecules with aluminum/silicone doped SnS2 nanosheets: A density functional theory investigation
|
Qu, Aiyan
|
|
|
1188 |
C |
p.
|
artikel
|
| 13 |
Theoretical investigation on anti-sandwich beryllium-boron clusters Be2 m B n (m = 1–3): Fluxionality and multi-aromaticity
|
Yu, Xinlei
|
|
|
1188 |
C |
p.
|
artikel
|
| 14 |
Theoretical study of the adsorption behaviors of gas molecules on the Au-functionalized MoS2 nanosheets: A search for highly efficient gas sensors
|
Xu, Shiqiang
|
|
|
1188 |
C |
p.
|
artikel
|
| 15 |
Tuning the electronic properties and band gap engineering in stanene monolayers via codoping of Mn and Al/P/Ga/As atoms: A DFT study
|
Ai, Ling-yan
|
|
|
1188 |
C |
p.
|
artikel
|
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