| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A new ab initio potential energy surface and rovibrational spectra for the N2–N2O complex
|
Liu, Li
|
|
|
582 |
C |
p.
|
artikel
|
| 2 |
Computational investigation on adsorption and activation of atmospheric pollutants CO, NO and SO on small cobalt clusters
|
Shabeeb, Muhammed
|
|
|
582 |
C |
p.
|
artikel
|
| 3 |
Contents continued
|
|
|
|
582 |
C |
p.
|
artikel
|
| 4 |
Designing high-efficiency organic semi-conductors for organic photodetectors assisted by machine learning and property prediction
|
Mohammedsaleh Katubi, Khadijah
|
|
|
582 |
C |
p.
|
artikel
|
| 5 |
Discrimination of hydration states of hydrated salts using terahertz time-domain spectroscopy
|
Ali, Ahsan
|
|
|
582 |
C |
p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
|
582 |
C |
p.
|
artikel
|
| 7 |
Engineering the half-metallic and magnetic semiconductor natures in gallium phosphide monolayer towards spintronic applications
|
Vu, Tuan V.
|
|
|
582 |
C |
p.
|
artikel
|
| 8 |
Engineering the orbital splitting and electronic reoccupation at alkali-metal-doped perovskites with face-shared IrO6 octahedral dimers
|
Shan, Yun
|
|
|
582 |
C |
p.
|
artikel
|
| 9 |
Enhancing the electrochemical and mechanical performance of LiFePO4 cathode material by ternary doping of Mn, Ti, and N
|
Jiang, Kai
|
|
|
582 |
C |
p.
|
artikel
|
| 10 |
Evolution of crystalline misorientations in polycrystalline samples of pure ice
|
Di Prinzio, C.L.
|
|
|
582 |
C |
p.
|
artikel
|
| 11 |
Exploring the chemical physics in tetraphenylporphyrin-N-methylfulleropyrrolidine supramolecular complex by spectroscopic investigations and quantum chemical calculations
|
Sankar Saha, Shiv
|
|
|
582 |
C |
p.
|
artikel
|
| 12 |
First-principles calculations of electronic, vibrational, and thermodynamic properties of nitrogen-rich salt of 3,6-dinitramino-1,2,4,5-tetrazine [(DAG)2(DNAT)·H2O]
|
Zhang, Han-Ke
|
|
|
582 |
C |
p.
|
artikel
|
| 13 |
First-principles calculations to investigate effect of strain on magnetic and optical properties of Mn-adsorbed SnSe2 monolayer
|
Xu, Bin
|
|
|
582 |
C |
p.
|
artikel
|
| 14 |
Graphical abstract TOC
|
|
|
|
582 |
C |
p.
|
artikel
|
| 15 |
Graphical abstract TOC
|
|
|
|
582 |
C |
p.
|
artikel
|
| 16 |
Interaction between chitosan and arsenic acid
|
Meza-González, Brandon
|
|
|
582 |
C |
p.
|
artikel
|
| 17 |
Investigating with molecular dynamics, self-assembly of enantiomeric forms of PLA/functionalized-PLA in different solvent conditions
|
Rizvi, Sarmad
|
|
|
582 |
C |
p.
|
artikel
|
| 18 |
Photochemistry of micro-solvated benzonitrile complexes with water/ammonia bordering on the formation of icy grains
|
Queiroz, Murillo H.
|
|
|
582 |
C |
p.
|
artikel
|
| 19 |
Revolutionizing polymer engineering for Photodetectors: A Machine Learning-Assisted paradigm for rapid materials discovery
|
Zhou, Jing
|
|
|
582 |
C |
p.
|
artikel
|
| 20 |
SnS2 with different exposed crystal planes for NO2 gas sensing
|
Xu, Siyu
|
|
|
582 |
C |
p.
|
artikel
|
| 21 |
The Impact of Chemical Modifications on The Ionic Conductivity of Ionic Liquid Encapsulated in Carbon Nanotubes, Potential Application in Aluminum Ion Battery
|
Taherkhani, Farid
|
|
|
582 |
C |
p.
|
artikel
|
| 22 |
Theoretical design of novel fluorophores for near-infrared fluorescent probes of peroxynitrite
|
Zhao, Bing
|
|
|
582 |
C |
p.
|
artikel
|
| 23 |
Theoretical prediction of molar entropy of modified shifted Morse potential for gaseous molecules
|
Onate, C.A.
|
|
|
582 |
C |
p.
|
artikel
|
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