| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate spectroscopy, dipole moment, and ionization energy of gadolinium monoxide from high-level electronic structure calculations
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Smirnov, Alexander N.
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806 |
C |
p.
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artikel
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| 2 |
A comprehensive DFT analysis on structural, electronic, optical, thermoelectric, SLME properties of new Double Perovskite Oxide Pb2ScBiO6
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Annie Abraham, Jisha
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806 |
C |
p.
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artikel
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| 3 |
Advanced NASICON-type LiTi2(PO4)3 as electrode materials for lithium-ion batteries
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Guo, Zixiang
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806 |
C |
p.
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artikel
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| 4 |
A metallic CP3 monolayer with very high absorption coefficients for visible light and as the CO2 absorbent
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Fu, Xi
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806 |
C |
p.
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artikel
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| 5 |
Application of statistical criteria in the presence of systematic errors in GED
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Kochikov, Igor V.
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806 |
C |
p.
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artikel
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| 6 |
Application of Surfactant-based enhanced oil recovery in carbonate Reservoirs: A critical review of the opportunities and challenges
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Tabaeh Hayavi, Mohammad
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806 |
C |
p.
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artikel
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| 7 |
Assessment of seventeen density functionals to estimate the global reactivity of C20 in the framework of the conceptual density functional theory
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Marcoleta, Rocío
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806 |
C |
p.
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artikel
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| 8 |
Association of atomic clusters and free volume with the viscosity of Fe-C melts
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Gao, Shanchao
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806 |
C |
p.
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artikel
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| 9 |
Biosynthesis of zinc oxide-cobalt oxide nanocomposite as electrode material and its performance evaluation for the sustainable hybrid supercapacitor energy storage devices
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Nayak, Sahana
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806 |
C |
p.
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artikel
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| 10 |
Calculations and measurements for the rotational spectrum and structure of the cyclopentadienyl thallium – benzene complex
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Zhou, Zunwu
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806 |
C |
p.
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artikel
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| 11 |
Carbon induced segregation of Ni atoms in Cu-Ni alloy
|
Chen, Yao
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806 |
C |
p.
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artikel
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| 12 |
Catalytic effects on decomposition of formic acid in the atmosphere – A kinetic and thermochemical investigation
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Shashikala, K.
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806 |
C |
p.
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artikel
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| 13 |
Circularly polarized deep-blue polymer light emitting diodes induced by a chiral small molecule dopant
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Su, Xiaozhe
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806 |
C |
p.
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artikel
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| 14 |
Construction of 3D-sized Mn (II)-doped MoS2@activated alumina beads as PMS activator for tetracycline degradation under light irradiation
|
Zhang, Huan
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806 |
C |
p.
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artikel
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| 15 |
Controlled synthesis of porous carbons and their electrochemical performance for supercapacitors
|
Feng, Wenle
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806 |
C |
p.
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artikel
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| 16 |
Curving of graphene quantum dots by external electric field
|
Kuamit, Thanawit
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806 |
C |
p.
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artikel
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| 17 |
Density functional theory investigation on structural, mechanical, electronic and vibrational properties of Heusler alloys AlXIr2 (X = Co, Cr, Cu, Fe and Zn)
|
Iyigör, Ahmet
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806 |
C |
p.
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artikel
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| 18 |
Density functional theory study on catalytic reduction of NO on semi-coke containing N and Fe: The effect of CO
|
Wang, Ruinan
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806 |
C |
p.
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artikel
|
| 19 |
Developing a new Sr and Co-free composite cathode of solid oxide fuel cells with high performance
|
Desta, Halefom G.
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806 |
C |
p.
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artikel
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| 20 |
DFT molecular modeling of A2-D-A1-D-A2 type DF-PCIC based small molecules acceptors for organic photovoltaic cells
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Sabir, Saliha
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806 |
C |
p.
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artikel
|
| 21 |
Direct local sampling method for solving the Schrödinger equation with the free complement - local Schrödinger equation theory
|
Nakatsuji, Hiroshi
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806 |
C |
p.
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artikel
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| 22 |
Editorial Board
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806 |
C |
p.
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artikel
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| 23 |
Electrochemical sensing of anti-inflammatory drug mesalazine in pharmaceutical samples at polymerized-congo red modified carbon paste electrode
|
Ganesh, Pattan-Siddappa
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806 |
C |
p.
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artikel
|
| 24 |
Elucidation of a multiple S3 intermediates model for water oxidation in the oxygen evolving complex of photosystem II. Calcium-assisted concerted OO bond formation
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Yamaguchi, Kizashi
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806 |
C |
p.
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artikel
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| 25 |
Evaluating the photoelectric performance of D-π-A dyes with different π-conjugated bridges for DSSCs
|
Ren, Zhanghao
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806 |
C |
p.
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artikel
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| 26 |
Excited state processes in nitrile-substituted 2-(oxazolinyl)-phenols in gas and implicit solvents: A computational study
|
Mawa, Ibanrishisha
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806 |
C |
p.
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artikel
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| 27 |
Extended molar absorption analysis of confined states of water in reverse micelles using near-infrared spectroscopy
|
Ikehata, Akifumi
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806 |
C |
p.
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artikel
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| 28 |
First-principles calculations to investigate elastic properties, ideal tensile strength and electronic properties of TiSi, Ti5Si3 and Ti5Si4
|
Liu, Yaxin
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806 |
C |
p.
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artikel
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| 29 |
Gapped-filtering for efficient Chebyshev expansion of the density projection operator
|
Nguyen, Minh
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806 |
C |
p.
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artikel
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| 30 |
Gas sensitivity and mechanism of metal-modified MoSe2 to air decomposition products in air-insulated switch cabinet
|
Tang, Wangyang
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806 |
C |
p.
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artikel
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| 31 |
Graphical abstract TOC
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806 |
C |
p.
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artikel
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| 32 |
Graphical abstract TOC
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806 |
C |
p.
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artikel
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| 33 |
Graphical abstract TOC Continued
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806 |
C |
p.
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artikel
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| 34 |
Helicene adsorption on graphene, hexagonal boron nitride, graphane, and fluorographane
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Denis, Pablo A.
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806 |
C |
p.
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artikel
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| 35 |
High harmonic generation spectrum of energetic molecule nitromethane
|
Ghosh, Jayanta
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806 |
C |
p.
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artikel
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| 36 |
Impurity effect on thermal properties of tuned quantum dot/ring systems
|
Ghanbari, A.
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806 |
C |
p.
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artikel
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| 37 |
Infinitesimal Pt species greatly enhance polyvalent OMS-2 for the efficient catalytic combustion of toluene
|
Wang, Jinbo
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806 |
C |
p.
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artikel
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| 38 |
Investigation of the multielectron dynamics of CO in intense laser fields by the effective potential analysis of natural orbitals
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Ohmura, Shu
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806 |
C |
p.
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artikel
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| 39 |
Ionization and ultrafast hydrogen migration of methylamine in few-cycle intense near-infrared laser fields
|
Zhang, Meng
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806 |
C |
p.
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artikel
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| 40 |
Janus B2XY (X, Y = S, Se, Te) monolayers as piezoelectric Materials: A First-Principle study
|
Yan, Xiao-Jun
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806 |
C |
p.
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artikel
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| 41 |
Large-scale synthesis of visible light responsive ZnS by one-step molten salt method
|
Lu, Zilin
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806 |
C |
p.
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artikel
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| 42 |
Molecular dynamics simulation of fatty acid collectors with different carbon chain lengths on the surface of low-rank coal
|
Li, Yizhang
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806 |
C |
p.
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artikel
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| 43 |
Molecular dynamics study of polymeric stabilizers as soil improvement materials
|
Huang, Wei
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806 |
C |
p.
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artikel
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| 44 |
Novel fabrication of Ni/Fe3O4 nanorods with graphene and PANI as additives for enhanced acetone sensing performance at room temperature
|
Yoon, Dang-Hyok
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806 |
C |
p.
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artikel
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| 45 |
Novel high dielectric polymer composites with BaTiO3 co-doped by Nb2O5 and Co3O4
|
Zhu, Min
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806 |
C |
p.
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artikel
|
| 46 |
Novel preparation of sludge-based spontaneous magnetic biochar combination with red mud for the removal of Cu2+ from wastewater
|
Jiang, Gang
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806 |
C |
p.
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artikel
|
| 47 |
Optoelectronic properties and ion diffusion mechanism in 2D perovskites Cs3 BX 5 (B = Ge, Sn, and Pb; X = Cl, Br, and I): A first–principles investigation
|
Lan, Chunfeng
|
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|
806 |
C |
p.
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artikel
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| 48 |
Oxidation-state analysis of manganese-oxide clusters, Mn x O y + (x = 4, y = 4–7), by X-ray absorption spectroscopy
|
Hayakawa, Tetsuichiro
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806 |
C |
p.
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artikel
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| 49 |
Ozone-assisted oxidation of ethylene in a jet-stirred reactor: An experimental and modeling study
|
Smith Lewin, Caroline
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806 |
C |
p.
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artikel
|
| 50 |
Planar bridging an atomically precise surface trench with a single molecular wire on an Au(111) surface
|
Thupakula, Umamahesh
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806 |
C |
p.
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artikel
|
| 51 |
Preparation of Fe-La montmorillonite nanosheets based composite hydrogel beads for As(V) removal from water
|
Wu, Chenyu
|
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806 |
C |
p.
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artikel
|
| 52 |
Preparation of manganese(II) oxide doped zinc oxide nanocomposites with improved antibacterial activity via ROS
|
Kong, Jing
|
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806 |
C |
p.
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artikel
|
| 53 |
Promotion of metal oxides on NiO/MOX-Ce0.5Zr0.5O2 catalyst (M = Mg, Co, La) for diesel steam reforming
|
Li, Duo
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806 |
C |
p.
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artikel
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| 54 |
Raman enhancement (SERS) of the surface phonon modes of TiO2
|
Islam, Syed K.
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806 |
C |
p.
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artikel
|
| 55 |
Retraction notice to “A FRET-based dual fluorescent probe with nitrogen doped carbon dots as the energy donor for selective detection of Fe3+” [Chem. Phys. Lett. 803 (2022) 139863]
|
Sun, Wei
|
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806 |
C |
p.
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artikel
|
| 56 |
Self-powered photodetector based on poly(3-hexylthiophene) / Zinc oxide quantum dots Organic-inorganic hybrid heterojunction
|
Tan, Yufei
|
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806 |
C |
p.
|
artikel
|
| 57 |
Self-reaction of C2H5O2 and its cross-reaction with HO2 studied with vacuum ultraviolet photoionization mass spectrometry
|
Wen, Zuoying
|
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806 |
C |
p.
|
artikel
|
| 58 |
Sensing performance of CdPc monolayer toward the SF6 decomposition gases: A DFT study
|
Deng, Pan
|
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806 |
C |
p.
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artikel
|
| 59 |
Simple harmonic oscillation model explaining MA torsional locking in surface passivated MAPbI3 crystal
|
Maddah, Hisham A.
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806 |
C |
p.
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artikel
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| 60 |
Simple scalable preparation of SnOx/FexOy/C composite and its enhanced lithium storage
|
Zhang, Cuiyun
|
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806 |
C |
p.
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artikel
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| 61 |
Size dependence of solute’s translational jump-diffusion in solvent: Relationship between trapping and jump-diffusion
|
Dueby, Shivam
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806 |
C |
p.
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artikel
|
| 62 |
Spectral (FT-IR, FT-Raman, NMR, UV–vis), electronic structure (DFT, TD-DFT), and molecular docking investigations on 1-((1H-benzo[d]imidazol-1-yl)methyl)urea – A bioactive Mannich base system
|
Sumithra, M
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806 |
C |
p.
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artikel
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| 63 |
Structure identification of binary (cyclic alcohol guests + methane) clathrate hydrates using Rietveld analysis with the direct space method
|
Park, Ki Hun
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806 |
C |
p.
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artikel
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| 64 |
Study on the activation mechanism of protactinium and NH3 by density functional theory
|
Shan, Na
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806 |
C |
p.
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artikel
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| 65 |
Study on the preparation and catalytic performance of CeO2/La0.4Sr0.6Co0.8Ni0.2O3 hybrid materials
|
Wang, Hua‑ling
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806 |
C |
p.
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artikel
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| 66 |
Super-exchange interaction induced by neighboring bimetallic hybridization in bismuthene for hydrogen evolution reaction
|
Wang, Li-Fen
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806 |
C |
p.
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artikel
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| 67 |
Synthesis and performance of two ecofriendly epoxy resins as a highly efficient corrosion inhibition for carbon steel in 1 M HCl solution: DFT, RDF, FFV and MD approaches
|
Hsissou, Rachid
|
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806 |
C |
p.
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artikel
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| 68 |
Synthesis of micro-nano sphere structure silicon–carbon composite as anode material for lithium-ion batteries
|
Pu, Jianbo
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806 |
C |
p.
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artikel
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| 69 |
The influence of top electrode work function on the performance of methylammonium lead iodide based perovskite solar cells having various electron transport layers
|
Bag, Atanu
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806 |
C |
p.
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artikel
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| 70 |
The molecular species in saturated and overheated vapors of Sc(acac)3: A first structural study of bis-acetylacetonate scandium Sc(acac)2 radical
|
Girichev, G.V.
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806 |
C |
p.
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artikel
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| 71 |
Theoretical study of carbon isotope effects in the nonclassical carbonyl cation CO/[M(CO) n ]+ (M = Cu, Ag, Au; n = 1–4)
|
Ono, Yuriko
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806 |
C |
p.
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artikel
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| 72 |
Theoretical study of dissolved gas molecules in transformer oil adsorbed on Agn (n = 1–3) cluster doped PtO2 monolayer
|
Jiang, Tianyan
|
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806 |
C |
p.
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artikel
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| 73 |
Theoretical transient absorption spectroscopy of trans-1,3‑butadiene in intense laser fields
|
Yang, Wenhong
|
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806 |
C |
p.
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artikel
|
| 74 |
The preparation of flexible graphene sponges embedded Sn nanospheres through Sn-C bonding and their improved electrochemical performances
|
Deng, Xiaobing
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806 |
C |
p.
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artikel
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| 75 |
The reciprocal SN2 and SE2 reactions of ammonia borane
|
Alkorta, Ibon
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806 |
C |
p.
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artikel
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| 76 |
The systematic study of quenching rate coefficients of NO(X2Π) colliding by NO(A2Σ+) and N2(A3Σ+ u, B3Πg)
|
Ma, Huibin
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806 |
C |
p.
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artikel
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| 77 |
Tunable electronic structures of covalent triazine frameworks/GaS van der Waals heterostructures via a perpendicular electric field and parallel strain
|
Zhu, Jianhua
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806 |
C |
p.
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artikel
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| 78 |
Ultraviolet and infrared spectra of mono-, di- and tri-hydrated clusters of protonated noradrenaline – Solvation and conformational variations
|
Yamaguchi, Keisuke
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806 |
C |
p.
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artikel
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| 79 |
Unraveling the spin reorientation process in rare earth perovskite PrFe0.1Cr0.9O3
|
Shen, Jiyu
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806 |
C |
p.
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artikel
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| 80 |
Vanadium pentoxide–dibismuth trioxide nanosheets for efficient photoelectrochemical water splitting: Effect of applied bias on charge transfer kinetics
|
Neelakanta Reddy, I.
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806 |
C |
p.
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artikel
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| 81 |
Vibrationally-resolved absorption and fluorescence spectra of chemically modified 2D hexagonal boron nitride quantum dots
|
Abdelsalam, Hazem
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806 |
C |
p.
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artikel
|
| 82 |
Water droplets embedded with nascent carbon particles hold higher photo-thermal efficiency than aged ones
|
Ray, Debajyoti
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806 |
C |
p.
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artikel
|
| 83 |
Z-dependence of forward scattering peak intensity of electron by atoms
|
Daimon, Hiroshi
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806 |
C |
p.
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artikel
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