| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio molecular dynamics study on microstructure and diffusion properties of CaF2-2.2NaF-AlF3 system
|
Chen, Can
|
|
|
550 |
C |
p.
|
artikel
|
| 2 |
Accelerating water wet-dry phase transitions in a one-dimensional carbon nanotube
|
Meng, X.W.
|
|
|
550 |
C |
p.
|
artikel
|
| 3 |
A comprehensive studies on photophysical and electrochemical properties of novel D-π-A thiophene substituted 1,3,4-oxadiazole derivatives for optoelectronic applications: A computational and experimental approach
|
Thippeswamy, M.S.
|
|
|
550 |
C |
p.
|
artikel
|
| 4 |
Adsorption properties of Cr modified GaN monolayer for H2, CO, C2H2 and C2H4
|
Liu, Yupeng
|
|
|
550 |
C |
p.
|
artikel
|
| 5 |
An experimental FTIR-ATR and computational study of H-bonding in ethanol/water mixtures
|
Zeinalipour-Yazdi, Constantinos D.
|
|
|
550 |
C |
p.
|
artikel
|
| 6 |
An optimized deep convolutional neural network for yield prediction of Buchwald-Hartwig amination
|
Zhao, Yanan
|
|
|
550 |
C |
p.
|
artikel
|
| 7 |
A numerical study of droplet impact on solid spheres: The effect of surface wettability, sphere size, and initial impact velocity
|
Li, Xinxin
|
|
|
550 |
C |
p.
|
artikel
|
| 8 |
Computational insight into pnictogen bonds in the self-assembly of caged pnictogen compounds
|
Tian, Ye
|
|
|
550 |
C |
p.
|
artikel
|
| 9 |
Computational investigation of lithium intercalation in single-walled zigzag blue phosphorene nanotubes
|
Hao, Junhua
|
|
|
550 |
C |
p.
|
artikel
|
| 10 |
Computational study on the mechanisms of the methylketene with Cl/Br reactions in the atmosphere
|
Zhang, Yunju
|
|
|
550 |
C |
p.
|
artikel
|
| 11 |
Contents Continued
|
|
|
|
550 |
C |
p.
|
artikel
|
| 12 |
Doping effect of chalcogens on electronic and optical properties of perovskite LiNbO3 compound: Ab initio calculations
|
Ait Brahim, I.
|
|
|
550 |
C |
p.
|
artikel
|
| 13 |
Editorial Board
|
|
|
|
550 |
C |
p.
|
artikel
|
| 14 |
Effect of Mn doping and point vacancy on stability and magnetism of ZnO
|
Guan, Yuqin
|
|
|
550 |
C |
p.
|
artikel
|
| 15 |
Effect of resonant core-level excitation in an atom on photoemission from the neighboring atoms
|
Baba, Y.
|
|
|
550 |
C |
p.
|
artikel
|
| 16 |
Effects of hydrophobic solute on water normal modes
|
Reddy, Kambham Devendra
|
|
|
550 |
C |
p.
|
artikel
|
| 17 |
Effects of oxygen atoms and oxygen molecules on the electronic properties of modified black phosphorus
|
Xu, Yuanpu
|
|
|
550 |
C |
p.
|
artikel
|
| 18 |
FeO-Clinoptilolite nanoparticles: Brief characterization and its photocatalytic kinetics towards 2,4-dichloroaniline
|
Iazdani, Fereshteh
|
|
|
550 |
C |
p.
|
artikel
|
| 19 |
Graphical abstract TOC
|
|
|
|
550 |
C |
p.
|
artikel
|
| 20 |
Graphical abstract TOC
|
|
|
|
550 |
C |
p.
|
artikel
|
| 21 |
Higher-order harmonics generation based on near-field scattered laser pulse in Au-Si core-shell nanospheres
|
Amini, Farzaneh
|
|
|
550 |
C |
p.
|
artikel
|
| 22 |
Machine learning bioactive compound solubilities in supercritical carbon dioxide
|
Zhang, Yun
|
|
|
550 |
C |
p.
|
artikel
|
| 23 |
Molecular modeling and rational design of noncovalent halogen⋯oxygen⋯hydrogen motif at the complex interface of EGFR kinase domain with RALT peptide
|
Gu, Hualong
|
|
|
550 |
C |
p.
|
artikel
|
| 24 |
Molecular structure and properties of MgCa molecule
|
Rizkallah, Giovanna C.
|
|
|
550 |
C |
p.
|
artikel
|
| 25 |
New effect of strong oscillation and anisotropy of electrical conductance in graphene films with vertically aligned carbon nanotubes and monolayer pillared graphene films
|
Glukhova, Olga E.
|
|
|
550 |
C |
p.
|
artikel
|
| 26 |
Non-adiabatic quantum dynamics studies of the Mg+(3p) + D2 → MgD+ + D reaction
|
Mao, Ye
|
|
|
550 |
C |
p.
|
artikel
|
| 27 |
Preparation and application of expanded and exfoliated vermiculite: A critical review
|
Li, Mingliang
|
|
|
550 |
C |
p.
|
artikel
|
| 28 |
Quantum calculations for the abstraction and exchange channels of the H + SH+(v 0 = 0, j 0 = 0) reaction
|
Li, Wentao
|
|
|
550 |
C |
p.
|
artikel
|
| 29 |
Super phase transition and super metastable state
|
Ibrahimoglu, Beycan
|
|
|
550 |
C |
p.
|
artikel
|
| 30 |
Tuning structural preference of negatively charged B16 by ionically or covalently interacting with alkali and coinage metals
|
Dong, Xue
|
|
|
550 |
C |
p.
|
artikel
|
| 31 |
Unknown Knowns: Case studies in uncertainties in the computation of thermochemical parameters
|
Simmie, John M.
|
|
|
550 |
C |
p.
|
artikel
|
| 32 |
Zero-point averaged dynamics of Ar n + He 1000 : Dopant-size influence on potential-energy surfaces, mass spectra and fragmentation patterns
|
Bonhommeau, David A.
|
|
|
550 |
C |
p.
|
artikel
|
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