| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab-initio calculations combined with Monte Carlo simulation of the physical properties of Fe3S4 compound
|
Benyoussef, S.
|
|
|
548 |
C |
p.
|
artikel
|
| 2 |
An analytically solvable reaction-diffusion model for chemical dynamics in solutions
|
Saravanan, Rajendran
|
|
|
548 |
C |
p.
|
artikel
|
| 3 |
A theoretical study on mechanism and kinetics of the C2H3 + C2H3 recombination and the isomerization and dissociation of butadiene
|
Pham, Tien V.
|
|
|
548 |
C |
p.
|
artikel
|
| 4 |
BiOCl/α-Fe2O3 composite for enhanced photocatalytic degradation of gaseous styrene
|
Yao, Jieyu
|
|
|
548 |
C |
p.
|
artikel
|
| 5 |
Catalytic performance of Pt3Ni cluster toward ethane activation
|
Liu, Ting-Hao
|
|
|
548 |
C |
p.
|
artikel
|
| 6 |
Chirality recognition and separation of 4-ethynyltriphenylamine induced by chiral Kagomé network on Cu (111)
|
Yan, Luyao
|
|
|
548 |
C |
p.
|
artikel
|
| 7 |
Computational design of photoswitchable anion receptors: Red-shifted and bistable di-ortho-fluoro di-ortho-chloro azobenzene derivatives
|
Lv, Shasha
|
|
|
548 |
C |
p.
|
artikel
|
| 8 |
Contents Continued
|
|
|
|
548 |
C |
p.
|
artikel
|
| 9 |
Controlled wetting properties of proton beam irradiated silicon nanowires
|
Vendamani, V.S.
|
|
|
548 |
C |
p.
|
artikel
|
| 10 |
Diffusion–reaction approach to electronic relaxation in solution: Exact solution of Smoluchowski equation for parabolic potential in presence of a rectangular sink
|
Mondal, Proma
|
|
|
548 |
C |
p.
|
artikel
|
| 11 |
Editorial Board
|
|
|
|
548 |
C |
p.
|
artikel
|
| 12 |
Exact eigenenergies of a model of vibronically coupled electron transfer reactions
|
Lu, Yangyi
|
|
|
548 |
C |
p.
|
artikel
|
| 13 |
Fabrication, characterization of neutron and proton shielding investigation of tungsten oxide dispersed-ultra high Mw polyethylene
|
Sayyed, M.I.
|
|
|
548 |
C |
p.
|
artikel
|
| 14 |
Features of the temperature-frequency dependences of the electrophysical properties of vanillin alcohol as a model lignin compound
|
Volkov, Aleksandr S.
|
|
|
548 |
C |
p.
|
artikel
|
| 15 |
Finite element method for atoms
|
Kochnev, Valentin K.
|
|
|
548 |
C |
p.
|
artikel
|
| 16 |
First-principles calculations of the electronic, vibrational, and thermodynamic properties of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)
|
Yuan, Wen-Shuo
|
|
|
548 |
C |
p.
|
artikel
|
| 17 |
Graphical abstract TOC
|
|
|
|
548 |
C |
p.
|
artikel
|
| 18 |
Graphical abstract TOC
|
|
|
|
548 |
C |
p.
|
artikel
|
| 19 |
Increasing stability of MoS2 nanoribbons by edge engineering
|
Jing, Huang
|
|
|
548 |
C |
p.
|
artikel
|
| 20 |
Insight into degradation mechanism of Pd nanoparticles on NCNTs catalyst for ethanol electrooxidation: A combined identical-location transmission electron microscopy and X-ray photoelectron spectroscopy study
|
Peng, Dengchao
|
|
|
548 |
C |
p.
|
artikel
|
| 21 |
Insights on the site-selective fragmentation of CF2Cl2 and CH2Cl2 at the chlorine K-edge from ab initio calculations
|
Tenorio, Bruno Nunes Cabral
|
|
|
548 |
C |
p.
|
artikel
|
| 22 |
Ion dynamics and selectivity of Nav channels from molecular dynamics simulation
|
Sun, Zhaoxi
|
|
|
548 |
C |
p.
|
artikel
|
| 23 |
Molecular dynamics simulations for initial formation process of polycyclic aromatic hydrocarbons in n-hexane and cyclohexane combustion
|
Hirai, Hirotoshi
|
|
|
548 |
C |
p.
|
artikel
|
| 24 |
Molecular dynamics study of the effect of sodium and chloride ions on water-surfactant-hydrocarbon interfaces
|
Ivanova, Anastasia A.
|
|
|
548 |
C |
p.
|
artikel
|
| 25 |
Observing the structural variations on binary complex vesicle surfaces and the influence on molecular transportation
|
Ruan, Yundan
|
|
|
548 |
C |
p.
|
artikel
|
| 26 |
One pot synthesis of 1T@2H-MoS2/SnS2 heterojunction as a photocatalyst with excellent visible light response due to multiphase synergistic effect
|
Chen, Changzhao
|
|
|
548 |
C |
p.
|
artikel
|
| 27 |
Preparation of Z-scheme Ag/AgBr/BiOBr composite photocatalyst for effective removal of organic pollutants
|
Deng, Jianmin
|
|
|
548 |
C |
p.
|
artikel
|
| 28 |
Ruddlesden-Popper compound Sr2TiO4 doped with chalcogens for optoelectronic applications: Insights from first-principle calculations
|
Ziati, Meryem
|
|
|
548 |
C |
p.
|
artikel
|
| 29 |
SnS2 monolayer and SnS2/graphene heterostructure as promising anchoring materials for lithium-sulfur batteries: A computational study
|
Mao, Xiaotong
|
|
|
548 |
C |
p.
|
artikel
|
| 30 |
Supertetrahedraphene: A novel quasi 2D carbon allotrope with controllable thickness and electronic properties
|
Yuan, Yuan
|
|
|
548 |
C |
p.
|
artikel
|
| 31 |
The estimation of the second virial coefficients of He and N2 based on neural network potentials with quantum mechanical calculations
|
Kwon, Taejin
|
|
|
548 |
C |
p.
|
artikel
|
| 32 |
The graphene-supported non-noble metal catalysts activate ammonia decomposition: A DFT study
|
Miao, Meng
|
|
|
548 |
C |
p.
|
artikel
|
| 33 |
Theoretical study on Fe2C MXene as electrode material for secondary battery
|
Li, Bo
|
|
|
548 |
C |
p.
|
artikel
|
| 34 |
The role of structural symmetry on proton tautomerization: A DFTB/Meta-Dynamics computational study
|
Raptakis, Antonios
|
|
|
548 |
C |
p.
|
artikel
|
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