| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A Coumarin-Julolidine conjugated novel Schiff base: synthesis, DFT insights, and evaluation of selective and sensitive dual-responsive fluorescence sensing capabilities with Cu+ and Cu2+ ions
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Niranjan, Raghvendra
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598 |
C |
p.
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artikel
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| 2 |
Acoustic and spectroscopic investigation of sodium salicylate with potassium chloride/sodium bicarbonate: A volumetric and thermodynamic study
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Choudhary, Mashahid Hussain
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598 |
C |
p.
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artikel
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| 3 |
Adsorption and diffusion mechanism of Cs+ by potassium copper ferrocyanide-functionalized mesoporous silica channels: Molecular dynamics simulations
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Yu, Xingyu
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598 |
C |
p.
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artikel
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| 4 |
Adsorption of lithium ions from liquid resources by dual surfactant rod mesoporous composite lithium-ion sieve PVB-HTO-1
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Lin, Mengyu
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598 |
C |
p.
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artikel
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| 5 |
Atmosphere-dependent synthesis of BiVO₄ and its photocatalytic performance on methylene blue dye degradation
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Chandel, Abhishek
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598 |
C |
p.
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artikel
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| 6 |
Comprehensive DFT study of AgBeCl₃ perovskite structural and mechanical properties, electronic, optical, thermoelectric behavior, and dynamical stability via phonon analysis
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Akeb, Y.
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598 |
C |
p.
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artikel
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| 7 |
Construction of efficient red and near-infrared thermally activated delayed fluorescence molecules via donor engineering strategy: A theoretical perspective
|
Zhao, Xin
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598 |
C |
p.
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artikel
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| 8 |
Contents continued
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598 |
C |
p.
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artikel
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| 9 |
Corrosion protection performance of eco-friendly inhibitor for zinc metal surface: Computational modeling
|
Jabbar, Abdullah Hasan
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598 |
C |
p.
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artikel
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| 10 |
Decomposition mechanism of isoprenoid p-cymene during supercritical water gasification by ReaxFF simulation
|
Wang, Yutong
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598 |
C |
p.
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artikel
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| 11 |
DFT investigation on electronic properties of the first principle three models of titanium-zirconium nanoclusters doped with two molecules of gallium-arsenic
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Luaibi, Iman Nahudh
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598 |
C |
p.
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artikel
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| 12 |
DFT study of the influence of Chalcogen substitution on the structural, mechanical, thermodynamic, magnetic, and electronic properties of Ag₃FeX₄ (X = S, Se, Te)
|
Obeidat, Abdalla
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598 |
C |
p.
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artikel
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| 13 |
Editorial Board
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598 |
C |
p.
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artikel
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| 14 |
Electronic and optical properties modulation of heterostructures based on Na2S and h-BN under biaxial strain
|
Yang, Xiaotian
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598 |
C |
p.
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artikel
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| 15 |
Electronic transitions of the purpurin dye. UV-Vis polarization spectroscopy and quantum chemical predictions
|
Nguyen, Duy Duc
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598 |
C |
p.
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artikel
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| 16 |
Exploring pressure induced innovations in the essential physical properties of niobium based perovskite oxides: A first principles analysis
|
Iqbal, Shahid
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598 |
C |
p.
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artikel
|
| 17 |
Exploring the role of hydrostatic pressure on the essential physical properties of Ti-based perovskite oxides for optoelectronic applications
|
Malik, Naqash Hussain
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598 |
C |
p.
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artikel
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| 18 |
Exploring Ti-decorated boron phosphide monolayer with chemical modification for efficient hydrogen storage: a DFT and AIMD study
|
Bimgdi, H.
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598 |
C |
p.
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artikel
|
| 19 |
First-principles calculations, into the stability, tensile strength, and physical properties of M2CuC (M = V, Cr, and Mo) as novel 211 MAX phase carbides
|
Hachani, Ahmed
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598 |
C |
p.
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artikel
|
| 20 |
First-principles investigation of electronic structure, optical, mechanical properties, and strain effects of double perovskite Cs2LiSbX6(X = Cl, Br, I)
|
Gui, Zesheng
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598 |
C |
p.
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artikel
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| 21 |
First-principles study on crystal structure, mechanical thermodynamics, and electronic properties of perovskite energetic materials under high pressure
|
Gu, Feng
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598 |
C |
p.
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artikel
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| 22 |
Global potential energy surface for the ground state of H2O− and dynamics studies of the O− + H2 → H + OH− reaction
|
Xu, Limei
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598 |
C |
p.
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artikel
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| 23 |
Graphical abstract TOC
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598 |
C |
p.
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artikel
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| 24 |
Graphical abstract TOC
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598 |
C |
p.
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artikel
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| 25 |
Helical and antiparallel structures from truncated long-range interactions in water and dipolar spins
|
Yonetani, Yoshiteru
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598 |
C |
p.
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artikel
|
| 26 |
HTS/FTIR investigations in the spectral range 4000–600 cm−1 and BET method of specific surface area of various montmorillonite clays modified by monocationic and dicationic imidazolium ionic liquids
|
Ahmed, A.
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598 |
C |
p.
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artikel
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| 27 |
Hydrogen production from photocatalytic water splitting in the InP/SnS2 heterojunction: First-principles calculations
|
Li, Dan
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598 |
C |
p.
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artikel
|
| 28 |
Integrating rGO nanosheets for improving electrochemical performance of cubic type SrFeO3 nanoparticles
|
Alanazi, Meznah M.
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598 |
C |
p.
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artikel
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| 29 |
Interband multilevel transitions in ZnO/MgZnO asymmetric double quantum wells
|
Gu, Zhuo
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598 |
C |
p.
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artikel
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| 30 |
Investigation of the structural properties and electron collision excitation dynamics of endohedrally confined atoms
|
Chen, Zhanbin
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598 |
C |
p.
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artikel
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| 31 |
Investigation on the interaction and redox kinetics of the ethyl butyrate‑copper oxide system based on ReaxFF research
|
Li, Jifan
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598 |
C |
p.
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artikel
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| 32 |
Layer dependent optical properties of γ-graphyne
|
Ali, Sajid
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598 |
C |
p.
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artikel
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| 33 |
Magneto-thermoelectric properties of Sr2YRuO6 double perovskite: An Ab initio calculations and Monte Carlo simulations
|
Masrour, R.
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598 |
C |
p.
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artikel
|
| 34 |
Optical and nonlinear optical properties of rippled C84 derivatives comprising cyclically fused nonbenzenoid rings
|
Ma, Cheng
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598 |
C |
p.
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artikel
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| 35 |
Poly(benzyl acrylate) structural and thermodynamic properties in imidazolium-based ionic liquids: A molecular dynamics simulations study
|
J, Srivats
|
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598 |
C |
p.
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artikel
|
| 36 |
Precise band alignment modulation in MoS2/MoSSe heterojunctions via synergistic effects of spontaneous polarization and intrinsic electric fields
|
Ma, Yicheng
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598 |
C |
p.
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artikel
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| 37 |
RbNbX₃ (X = cl, Br, I) lead-free halide perovskites: A DFT study of structural, elastic, electronic, and thermoelectric properties for energy applications
|
Farah, Blaha Lamia
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598 |
C |
p.
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artikel
|
| 38 |
Reaction mechanism of methanol on 4H-SiC substrate surface: a density functional theory study
|
Zhang, Jiayu
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|
|
598 |
C |
p.
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artikel
|
| 39 |
Scattering of N2 molecules from tungsten surfaces: crystallographic anisotropy effects in the energy exchanges
|
Rutigliano, Maria
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598 |
C |
p.
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artikel
|
| 40 |
Strain regulation of TiS2/WS2 heterojunction and its performance as electrode material for Mg-ion battery in sports engineering: A DFT study
|
Yu, Dian
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598 |
C |
p.
|
artikel
|
| 41 |
Structural stability and electronic properties of fluorine-doped graphene
|
Agbolade, Lukman Olatomiwa
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598 |
C |
p.
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artikel
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| 42 |
Studies on electrical properties of PLD grown BiFeO3 - based layered MFIS heterostructure device
|
Panchasara, Akshay
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598 |
C |
p.
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artikel
|
| 43 |
Study on the influence of external stress and temperature on CH4 adsorption and diffusion in coal by molecular dynamic simulation
|
Long, Hang
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|
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598 |
C |
p.
|
artikel
|
| 44 |
Synthesis of MnCl2 and VCl2 doped CH3NH3PbI3 for low operating voltage resistive switching memory devices
|
Ojha, Saurav K.
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598 |
C |
p.
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artikel
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| 45 |
Theoretical investigation on low-temperature decomposition kinetics of hdroperoxymethyl formate with multistructural torsional anharmonicity
|
Duan, Yaozong
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598 |
C |
p.
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artikel
|
| 46 |
Theoretically explore XRD analysis and multi-functional properties of Ruddlesden popper phase family member Sr2XO4 (X = Ce, Hf, Ti and Zr) for photovoltaic applications
|
Hussain, Ahmad
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|
598 |
C |
p.
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artikel
|
| 47 |
The photocatalysis application of a new carbon nitrogen material and atomic doping to improve photocatalytic efficiency
|
Tan, Xiangyang
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598 |
C |
p.
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artikel
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| 48 |
The role of proton configurations in the absorption characteristics of trefoil-shaped Salicylaldehyde Azine derivatives: The electronic structure calculation analysis.
|
Fukuhima, Akinori
|
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598 |
C |
p.
|
artikel
|
| 49 |
Tuning the properties of SrI2: A DFT study on the contributions of S and Se doping
|
Rehman, Hafeez Ur
|
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598 |
C |
p.
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artikel
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| 50 |
Ultraviolet photodissociation spectroscopy of protonated adenosine and its hydrogen-bonded clusters with amino acid enantiomers
|
Nakanishi, Riyo
|
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598 |
C |
p.
|
artikel
|
| 51 |
Unveiling the physical properties of group III-nitride ultrawide band gap semiconductors: β -naphthyldiene, graphenyldiene, and β -naphthylene-based monolayers
|
Laranjeira, José A.S.
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598 |
C |
p.
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artikel
|
| 52 |
Unveiling the potential of two morphological Ni0.85Se nanostructures as cathode materials for rechargeable magnesium batteries
|
Sun, Kenan
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598 |
C |
p.
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artikel
|
| 53 |
Z-scheme WSTe/MoSSe van der Waals heterojunction as a hydrogen evolution photocatalyst: First-principles predictions
|
Tian, Lei
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598 |
C |
p.
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artikel
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