| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A first-principles investigation of structural, mechanical, electronic and magnetic properties of CsMgO3 perovskite
|
Nouri, Toufik
|
|
|
586 |
C |
p.
|
artikel
|
| 2 |
An innovative approach to design readily synthesizable polymers for all-polymer solar cells
|
Alsaiari, Norah Salem
|
|
|
586 |
C |
p.
|
artikel
|
| 3 |
A theoretical perspective on segmental relaxation dynamics of model dendrimer
|
Bhardwaj, Shelly
|
|
|
586 |
C |
p.
|
artikel
|
| 4 |
BH6 +: Revisiting borohydride cation with negatively charged boron and its possible implications for hydrogen storage
|
Srivastava, Ambrish Kumar
|
|
|
586 |
C |
p.
|
artikel
|
| 5 |
Contents continued
|
|
|
|
586 |
C |
p.
|
artikel
|
| 6 |
Corrigendum to “Vacancy-ordered CsRbGeCl6 and CsRbGeBr6 perovskites as new promising non-toxic materials for photovoltaic applications: A DFT investigation” [Chem. Phys. 584 (2024) 112348]
|
Pingak, Redi Kristian
|
|
|
586 |
C |
p.
|
artikel
|
| 7 |
Deep eutectic solvents: Quantum chemical investigation, thermal stability and physicochemical properties
|
Vorobyova, Victoria
|
|
|
586 |
C |
p.
|
artikel
|
| 8 |
DFT investigation on the design and optimization of icosahedral and octahedral beryllium nitride (Be3N2)x fullerene analogue. A comparative study with isosymmetry carbon fullerene
|
Nehdi, K.
|
|
|
586 |
C |
p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
|
586 |
C |
p.
|
artikel
|
| 10 |
Effect of different contact interfaces on electronic and optical properties in the heterojunction of SiC2/MoSSe
|
Ma, Zelong
|
|
|
586 |
C |
p.
|
artikel
|
| 11 |
Effect of water on formic acid and formaldehyde decomposition on the TiO2 (110) surface
|
Zhou, He
|
|
|
586 |
C |
p.
|
artikel
|
| 12 |
Effects of structural changes of PPO and PEO of nonionic surfactants on oil–water interface properties: A molecular dynamics simulation study
|
Lu, Congying
|
|
|
586 |
C |
p.
|
artikel
|
| 13 |
Electrical conductivity of stevia rebaudiana-surfactant mixture aqueous solution: Roles of temperature and sugar substitute concentration
|
Jebali, Sameh
|
|
|
586 |
C |
p.
|
artikel
|
| 14 |
Electrochemical evaluation of low crystalline CoFe2O4@Reduced graphene oxide nanocomposite for hybrid supercapacitor application
|
Pandimadevi Lishavi, S.
|
|
|
586 |
C |
p.
|
artikel
|
| 15 |
Electronic transport properties of tetracene molecular junctions formed with different metallic electrodes
|
Kaur, Sukhdeep
|
|
|
586 |
C |
p.
|
artikel
|
| 16 |
Electron momentum spectroscopy study of 1,3-dimethyladamantane: Methyl substitution effects on the outer valence orbitals
|
Watanabe, Noboru
|
|
|
586 |
C |
p.
|
artikel
|
| 17 |
First-principles calculation of the tunable electronic and optical properties of the BP/ZrS2 heterojunction
|
Duan, Weiwei
|
|
|
586 |
C |
p.
|
artikel
|
| 18 |
First-principles calculations to investigate pressure effect on structural, mechanical, electronic and thermodynamic properties of NADFP·DMF
|
Zhang, Xuan
|
|
|
586 |
C |
p.
|
artikel
|
| 19 |
First-principles calculations to investigate structural, electronic, optical and mechanical properties of Hafnium-based compounds
|
Tse, Geoffrey
|
|
|
586 |
C |
p.
|
artikel
|
| 20 |
First-Principles evaluation of Lead-Free X2NaIO6 (X=Sr, Ba) Double-Perovskite: For optoelectronic and solar cell applications
|
Aziz, Asima
|
|
|
586 |
C |
p.
|
artikel
|
| 21 |
First-principles study of the monolayer SnSSe for gas sensing applications
|
Xu, Bin
|
|
|
586 |
C |
p.
|
artikel
|
| 22 |
Graphical abstract TOC
|
|
|
|
586 |
C |
p.
|
artikel
|
| 23 |
Graphical abstract TOC
|
|
|
|
586 |
C |
p.
|
artikel
|
| 24 |
Mechanical properties of composite materials with low-covered polyrotaxane and plasma-surface-modified hexagonal boron nitride
|
Inoue, Kenichi
|
|
|
586 |
C |
p.
|
artikel
|
| 25 |
Mechanism of sodium lauryl sulfate reducing froth stability of dodecylamine in hematite flotation: Experiments and molecular dynamics simulation
|
Lang, Yuqin
|
|
|
586 |
C |
p.
|
artikel
|
| 26 |
Performance and sensitivity mechanism of the 1,3,5-trinitro-2,4,6-trinitroaminobenzene (TNTNB)
|
Yuan, Wen-Shuo
|
|
|
586 |
C |
p.
|
artikel
|
| 27 |
Physical properties of novel double perovskite oxides Ba2XSbO6(X = P, As) by first-principle calculations
|
Dai, Qi
|
|
|
586 |
C |
p.
|
artikel
|
| 28 |
Single-Layer InGeS: Robust direct Bandgap, super high electron Mobility, long-lived Carriers, and Ohmic contact for Next-Generation Field-Effect transistors
|
Cheng, Jie
|
|
|
586 |
C |
p.
|
artikel
|
| 29 |
The concentration limit of stability for individual gold nanoparticles in aqueous colloid during water evaporation
|
Dikovskaya, Anastasia O.
|
|
|
586 |
C |
p.
|
artikel
|
| 30 |
Theoretical study of vibronic absorption spectra and Franck-Condon factors of copper and silver hydrides
|
Mohammadian, Zeinab
|
|
|
586 |
C |
p.
|
artikel
|
| 31 |
The potential impact of the graphene oxide on the cytochrome c − from the insight of electron transfer theory
|
Wu, Wenze
|
|
|
586 |
C |
p.
|
artikel
|
| 32 |
Transition-metal doped Ti2CO2 as gas sensor toward NH3: A DFT study
|
Wang, Yajing
|
|
|
586 |
C |
p.
|
artikel
|
Tijdschrift beschrijving