nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Adsorption and sensing performances of Rh-embedded PtSe2 monolayer upon CO and HCHO in dry-type reactors: A first-principles study
|
Zhao, Qi |
|
|
562 |
C |
p. |
artikel |
2 |
Adsorption of butyl xanthate on arsenopyrite (001) and Cu2+-activated arsenopyrite (001) surfaces: A DFT study
|
Dai, Pulin |
|
|
562 |
C |
p. |
artikel |
3 |
Advanced hydrogen adsorption on benzene: Cation-π interaction effects
|
Petrushenko, I.K. |
|
|
562 |
C |
p. |
artikel |
4 |
A permeable squeezed flow analysis of Maxwell fluid near a sensor surface with radiation and chemical reaction
|
Salahuddin, T. |
|
|
562 |
C |
p. |
artikel |
5 |
A program system for self-consistent embedded potentials for ionic crystals
|
Larsson, Ernst D. |
|
|
562 |
C |
p. |
artikel |
6 |
Atomistically-informed modeling of point defect clustering and evolution in irradiated ThO2
|
Kumar Mazumder, Sanjoy |
|
|
562 |
C |
p. |
artikel |
7 |
Carbon nanotube assisted highly selective separation of organic liquid mixtures
|
Medesety, Padmesh |
|
|
562 |
C |
p. |
artikel |
8 |
Cation ⋯ anion bonding interactions in 1–Ethyl–3–Methylimidazolium based ionic liquids
|
Correa, Edison |
|
|
562 |
C |
p. |
artikel |
9 |
Comment on “Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity” [Chem. Phys. 559 (2022) 111540]
|
Pichierri, Fabio |
|
|
562 |
C |
p. |
artikel |
10 |
Contents Continued
|
|
|
|
562 |
C |
p. |
artikel |
11 |
DFT studies of aggregation induced energy splitting and excitonic diversification in benzene and anthracene multimers
|
Testoff, Thomas T. |
|
|
562 |
C |
p. |
artikel |
12 |
DFT study on sensing properties of twisted nano graphene (C80H30) towards toxic sulfur gases (environmental pollution)
|
Zinouri, Reihaneh |
|
|
562 |
C |
p. |
artikel |
13 |
Differences in intermolecular interactions between 4-hydroxycoumarin and 7-hydroxycoumarin studied by terahertz spectroscopy and density functional theory
|
Chen, Tao |
|
|
562 |
C |
p. |
artikel |
14 |
Editorial Board
|
|
|
|
562 |
C |
p. |
artikel |
15 |
Effect of the reactant vibration on quantum dynamics of the reaction H + CH(v = 0,1,2, j = 0) → H2 + C based on a new CH2(X 3A″) potential energy surface
|
Zhao, Juan |
|
|
562 |
C |
p. |
artikel |
16 |
Electronic properties of borophene based heterojunctions with MoS2 and WSe2
|
Wei, Jinlei |
|
|
562 |
C |
p. |
artikel |
17 |
Emission of x rays in collisions of xenon ions with metal surfaces
|
Guo, Yipan |
|
|
562 |
C |
p. |
artikel |
18 |
First-principles calculations to investigate structural, elastic, electronic, and thermoelectric properties of monolayer and bulk beryllium chalcogenides
|
Kumar, Pankaj |
|
|
562 |
C |
p. |
artikel |
19 |
Flue gas mercury removal using WS2-doped carbon nitride via physical mixing
|
Liu, Dongjing |
|
|
562 |
C |
p. |
artikel |
20 |
Graphical abstract TOC
|
|
|
|
562 |
C |
p. |
artikel |
21 |
Graphical abstract TOC
|
|
|
|
562 |
C |
p. |
artikel |
22 |
Honeycomb-Kagome lattice Na3Te2: Dirac half-metal with quantum anomalous Hall effect
|
Zhao, Yong-chun |
|
|
562 |
C |
p. |
artikel |
23 |
Hydrogen/deuterium exchange in 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide-based solutions
|
Abe, Hiroshi |
|
|
562 |
C |
p. |
artikel |
24 |
Influence of contact interface on electric transport in in-plane graphene/MoSSe heterojunction
|
Chen, Wen |
|
|
562 |
C |
p. |
artikel |
25 |
Insights on the enhanced nitrogen dioxide sensing using doped boron nitride nanosheets through the quantum chemical studies
|
Yadav, Anshul |
|
|
562 |
C |
p. |
artikel |
26 |
In-situ fabrication of a phase continuous transition Bismuth iodide/Bismuth niobate heterojunction: Interface regulation and the enhanced photodegradation mechanism
|
Zhang, Huining |
|
|
562 |
C |
p. |
artikel |
27 |
Integrated X-ray photoelectron spectroscopy and DFT investigations of DNA adsorption on nanostructured SiOx surface
|
Mishra, Indrani |
|
|
562 |
C |
p. |
artikel |
28 |
Interaction between meso-tetra-(4-hydroxyphenyl)porphyrin and SDS in aqueous solutions: Premicellar porphyrin-surfactant J-aggregate formation
|
Gradova, M.A. |
|
|
562 |
C |
p. |
artikel |
29 |
Investigation of quinoline derivatives by photoemission spectroscopy and theoretical calculations
|
Plekan, Oksana |
|
|
562 |
C |
p. |
artikel |
30 |
Investigation to the impact of mutual interactions between CdS sensitized TiO2 and integrated Hemoglobin on the catalysis of H2O2 Electro-reduction
|
Zhang, Zi-Jie |
|
|
562 |
C |
p. |
artikel |
31 |
Kinetic study on initial surface reaction of titanium dioxide growth using tetrakis(dimethylamino)titanium and water in atomic layer deposition process: Density functional theory calculation
|
Promjun, Tanabat |
|
|
562 |
C |
p. |
artikel |
32 |
Mechanism of germanium doping in sphalerite on copper ion activation: A DFT study
|
Sheng, Jie |
|
|
562 |
C |
p. |
artikel |
33 |
Photofunctional organic nanostructures of merocyanine dye fabricated via co-ion-assisted ion association: Morphology transformation from nanospheres to nanofibrils
|
Yokoi, Yuma |
|
|
562 |
C |
p. |
artikel |
34 |
Relativistic and vibrational effects on the electronic structure of isopropyl iodide
|
Zhao, Minfu |
|
|
562 |
C |
p. |
artikel |
35 |
Rotational tunneling in molecular crystals revisited: Realization of pocket states
|
Press, Werner |
|
|
562 |
C |
p. |
artikel |
36 |
Sensing response of novel ε-antimonene nanosheet towards ethyl acetate and isopropyl acetate – A DFT insight
|
Nagarajan, V. |
|
|
562 |
C |
p. |
artikel |
37 |
Spectroscopic studies on Pr3+ doped YPO4 and LuPO4 upon vacuum ultraviolet (VUV) and synchrotron radiation excitation
|
Kappelhoff, Jan |
|
|
562 |
C |
p. |
artikel |
38 |
Spreading probability distribution and increase of entropy due to coherent quantum dynamics: Proof-of-principle for a model molecular boron rotor
|
Yang, Hongjuan |
|
|
562 |
C |
p. |
artikel |
39 |
State-to-state dynamical studies of the C+ + H2(v = 0, j = 0) → CH+ + H reaction using time-dependent wave packet method
|
Li, Wentao |
|
|
562 |
C |
p. |
artikel |
40 |
State-to-state vibrational kinetics of diatomic molecules in laser-induced ignition of a syngas-air mixture: Modeling study
|
Kadochnikov, Ilya N. |
|
|
562 |
C |
p. |
artikel |
41 |
Structural features of fumed binary and ternary nanooxides with silica, alumina, and titania
|
Gun'ko, V.M. |
|
|
562 |
C |
p. |
artikel |
42 |
Tailoring synthesis conditions for [(Ba0.85Ca0.15)0.995Nd0.005](Ti0.9Hf0.1)O3 nanopowders by hydrothermal method and their luminescence properties
|
He, Xiyue |
|
|
562 |
C |
p. |
artikel |
43 |
The fabrication of excitation-dependent fluorescence boron/nitrogen co-doped carbon quantum dots and their employment in bioimaging
|
Karadag, Sugra Naz |
|
|
562 |
C |
p. |
artikel |
44 |
The influence of minor Mg doping on the physical properties of CdTe: A DFT study
|
Zhang, Caihua |
|
|
562 |
C |
p. |
artikel |
45 |
The role of intramolecular interactions on the stability of the conformers of a spiropyran derivative
|
Menzonatto, Thiago G. |
|
|
562 |
C |
p. |
artikel |
46 |
The tunable electronic structure and optical properties of vacancy-ordered double perovskites Tl2PdBr x Cl6- x (x = 0, 2, 4, 6)
|
Peng, Huan |
|
|
562 |
C |
p. |
artikel |
47 |
Unveiling passivation roles of PEA+ in CsPbI2Br surface
|
Hu, Wei |
|
|
562 |
C |
p. |
artikel |