| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study on the catalytic performance of metal (Ni, Pd) single atom, dimer and trimer for H2 dissociation
|
Xue, Mei
|
|
|
552 |
C |
p.
|
artikel
|
| 2 |
Assessing the propensity toward ionization in nanosized clusters of protic ionic liquids by Ab-initio methods
|
Le Donne, Andrea
|
|
|
552 |
C |
p.
|
artikel
|
| 3 |
Contents continued
|
|
|
|
552 |
C |
p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
|
552 |
C |
p.
|
artikel
|
| 5 |
Enzyme self-aggregation in supramolecular self-assembly of glucose oxidase and catalase: Insight from molecular dynamics simulation based on coarse-grained method
|
Zhang, Shiding
|
|
|
552 |
C |
p.
|
artikel
|
| 6 |
Facile synthesis of Z-scheme Bi2O3/Bi2WO6 composite for highly effective visible-light-driven photocatalytic degradation of nitrobenzene
|
Hu, Wenna
|
|
|
552 |
C |
p.
|
artikel
|
| 7 |
First principles study on the oxygen reduction reaction of Ir@Pt core-shell structure
|
Lu, Yanli
|
|
|
552 |
C |
p.
|
artikel
|
| 8 |
Formulation of temperature dependent effective Hartree potential incorporating quadratic over linear molecular DOFs-surface modes couplings and its effect on quantum dynamics of D2 (v = 0, j = 0)/D2 (v = 0, j = 2) on Cu(111) metal surface
|
Dutta, Joy
|
|
|
552 |
C |
p.
|
artikel
|
| 9 |
Grain boundary heredity from Cu/Al solid–liquid interface via diffusion during the solidification processes
|
Zhang, Jinping
|
|
|
552 |
C |
p.
|
artikel
|
| 10 |
Graphical abstract TOC
|
|
|
|
552 |
C |
p.
|
artikel
|
| 11 |
Graphical abstract TOC
|
|
|
|
552 |
C |
p.
|
artikel
|
| 12 |
Investigation of the conformational space of hydrophobic-polar heteropolymers by gyration tensor based parameters
|
Özyurt, Buket Taşdizen
|
|
|
552 |
C |
p.
|
artikel
|
| 13 |
Machine-learning-based many-body energy analysis of argon clusters: Fit for size?
|
Shiranirad, Mozhdeh
|
|
|
552 |
C |
p.
|
artikel
|
| 14 |
Prediction of nodal-line semimetals in 2D ScX (X = P, As) with high stability and considerable fermi velocities
|
Ding, Li-Juan
|
|
|
552 |
C |
p.
|
artikel
|
| 15 |
Rate constants and molecular recombination pathways of oxygen from quasi-classical trajectory simulations of the O 3 system
|
Kondur, Chaithanya
|
|
|
552 |
C |
p.
|
artikel
|
| 16 |
Shapeshifting radicals
|
Karton, Amir
|
|
|
552 |
C |
p.
|
artikel
|
| 17 |
Size-dependent reactivity of highly photoluminescent CdZnTeS alloyed quantum dots to mercury and lead ions
|
Hoang, Quang-Bac
|
|
|
552 |
C |
p.
|
artikel
|
| 18 |
Systematical study on the electronic properties of monoazaphenanthrene compounds by theoretical calculations and experimental observations
|
Hamamoto, Nobutsugu
|
|
|
552 |
C |
p.
|
artikel
|
| 19 |
Theoretical regulation of ESIPT behavior by varying the π-expansion of proton acceptor for substituted hydroxyl fluorenes
|
Song, Liying
|
|
|
552 |
C |
p.
|
artikel
|
| 20 |
Van der Waal heterostructure of hBAs and XMY (M = Mo, W; (X ≠ Y) = S, Se) monolayers
|
Alrebdi, Tahani A.
|
|
|
552 |
C |
p.
|
artikel
|
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