nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
A density functional theory calculation on the geometrical structures and electronic properties of Ag19 under the oriented external electric field
|
Zhao, Yang |
|
|
754 |
C |
p. |
artikel |
2 |
A DFT study of defects in SnO monolayer and their interaction with O2 molecule
|
Shukla, Aarti |
|
|
754 |
C |
p. |
artikel |
3 |
A first-principle study of the structural, mechanical, electronic and optical properties of vacancy-ordered double perovskite Cs2TeX6 (X = Cl, Br, I)
|
Sa, Rongjian |
|
|
754 |
C |
p. |
artikel |
4 |
An ab initio study of the B 35 boron nanocluster for application as atmospheric gas ( NO , NO 2 , N 2 O , NH 3 ) sensor
|
Hossain, Md. Arafat |
|
|
754 |
C |
p. |
artikel |
5 |
A new spline algorithm for solving non-isothermal reaction diffusion model equations in a spherical catalyst and spherical biocatalyst
|
Alam, Mohammad Prawesh |
|
|
754 |
C |
p. |
artikel |
6 |
A quantum Monte Carlo study of the structural and electronic properties of small boron clusters B n ( n = 1 , … , 13 )
|
Isaac Moreira, E.M. |
|
|
754 |
C |
p. |
artikel |
7 |
A stable gel electrolyte based on poly butyl acrylate (PBA)-co-poly acrylonitrile (PAN) for solid-state dye-sensitized solar cells
|
Kumar Shah, Deb |
|
|
754 |
C |
p. |
artikel |
8 |
A theoretical investigation of different point charges combined with GAFF and OPLS-AA for acetic anhydride
|
Ponnuchamy, Veerapandian |
|
|
754 |
C |
p. |
artikel |
9 |
A vacuum ultraviolet photoionization study on oxidation of JP-10 (exo-Tetrahydrodicyclopentadiene)
|
Zhao, Long |
|
|
754 |
C |
p. |
artikel |
10 |
Biopolymers extracted from Klebsiella sp. and Bacillus sp. in wastewater sludge as superb adsorbents for aqueous Hg(II) removal from water
|
Xia, Ling |
|
|
754 |
C |
p. |
artikel |
11 |
Bipolar resistive switching behavior of carbon nitride supported copper oxide nanoparticles
|
Perla, Venkata K |
|
|
754 |
C |
p. |
artikel |
12 |
Branching ratios of electronic quenching of atomic sulfur S(3p34p 3P J ) by collisions with N2
|
Kawabata, Daigo |
|
|
754 |
C |
p. |
artikel |
13 |
Calculation method of the number density distribution of liquid molecules or colloidal particles near a substrate from surface force apparatus measurement
|
Hashimoto, Kota |
|
|
754 |
C |
p. |
artikel |
14 |
Calculations of electron transfer in the tris[4-(2-thienyl)phenyl]amine–C70 donor-acceptor system
|
Beu, Titus-Adrian |
|
|
754 |
C |
p. |
artikel |
15 |
Carbon isotope effects in the artificial photosynthesis reactions catalyzed by nanostructured Co/CoO
|
Zeng, Ming |
|
|
754 |
C |
p. |
artikel |
16 |
CCSD(T)-F12 calculations of the IR spectrum of cyanoacetylene HC3N beyond the harmonic approximation
|
Dargelos, Alain |
|
|
754 |
C |
p. |
artikel |
17 |
Chloroaurate ions below organic monolayers: Competitive accumulation and gold nanocrystal growth
|
Kumar Soni, Suresh |
|
|
754 |
C |
p. |
artikel |
18 |
Cobalt/nickel oxide nanosheet arrays for electrocatalytic water oxidation: Size modulation, composition/phase control, and surface decoration
|
Chen, Yina |
|
|
754 |
C |
p. |
artikel |
19 |
Comment on “Computational evidence for sulfur atom tunneling in the ring flipping reaction of S4N4”
|
Nandi, Ashim |
|
|
754 |
C |
p. |
artikel |
20 |
Competition between interatomic Coulombic decay and autoionization of doubly-excited atoms
|
Jabbari, Ghazal |
|
|
754 |
C |
p. |
artikel |
21 |
Correlation Intensity Index (CII) as a criterion of predictive potential: Applying to model thermal conductivity of metal oxide-based ethylene glycol nanofluids
|
Jafari, Kimia |
|
|
754 |
C |
p. |
artikel |
22 |
Corrigendum to “Facile nanocrystalline Ta3N5 synthesis for photocatalytic dye degradation under visible light” [Chem. Phys. Lett. 738 (2020) 136900]
|
Kim, Jae Young |
|
|
754 |
C |
p. |
artikel |
23 |
Density functional study of the effect of cation exchanged Sn-Beta zeolite for the diels-alder reaction between furan and methyl acrylate
|
Paluka, Veerachart |
|
|
754 |
C |
p. |
artikel |
24 |
Determination, characterization and modeling of aqueous biphasic systems composed of propylammonium-based ionic liquids and phosphate salts
|
Mussagy, Cassamo U. |
|
|
754 |
C |
p. |
artikel |
25 |
Development of a coarse-grained force field model of polymeric 1-vinyl-3-ethylimidazolium tetrafluoroborate ionic liquids
|
Li, Qifeng |
|
|
754 |
C |
p. |
artikel |
26 |
Editorial Board
|
|
|
|
754 |
C |
p. |
artikel |
27 |
Effect of ferric chloride concentration on the surface micro-nano structure and superhydrophobic property of filter paper
|
Yin, Zuozhu |
|
|
754 |
C |
p. |
artikel |
28 |
Effect of NaOH on the preparation of two-dimensional flake-like zirconia nanostructures
|
Liu, Xuefeng |
|
|
754 |
C |
p. |
artikel |
29 |
Effect of relative position of donor and acceptor groups on linear and non-linear optical properties of quinoline system
|
Chattopadhyaya, Mausumi |
|
|
754 |
C |
p. |
artikel |
30 |
Effects of acetonitrile-assisted ball-milled aluminum nanoparticles on the ignition of acoustically levitated exo-tetrahydrodicyclopentadiene (JP-10) droplets
|
Brotton, Stephen J. |
|
|
754 |
C |
p. |
artikel |
31 |
Effects of oxygen defects on electronic band structures and dopant migration in Sn-doped TiO2 by density functional studies
|
Yu, Xiaohui |
|
|
754 |
C |
p. |
artikel |
32 |
Effects of oxygen vacancy on the magnetic properties of Mn(II)-doped anatase TiO2
|
Zhou, Min |
|
|
754 |
C |
p. |
artikel |
33 |
Electrochemical CO2 reduction on heterogeneous cobalt phthalocyanine catalysts with different carbon supports
|
Huai, Mingming |
|
|
754 |
C |
p. |
artikel |
34 |
Electrochemical polymerization of phenol on platinum and glassy carbon electrodes in mesityl oxide
|
Kiss, László |
|
|
754 |
C |
p. |
artikel |
35 |
Electronic and electrical properties of two single-layer tetragonal silicon carbides
|
Houmad, M. |
|
|
754 |
C |
p. |
artikel |
36 |
Electronic structure and bonding of the ScNH and YNH molecules
|
Bhattacharyya, Soumen |
|
|
754 |
C |
p. |
artikel |
37 |
Electronic structure, spectroscopic properties, and bonding in a thermodynamically stable transition metal-containing diatomic dication: The case of ScS2+
|
Romeu, João Gabriel Farias |
|
|
754 |
C |
p. |
artikel |
38 |
Engineered electronic properties of the spin-coated MAPI for hole-transport-free perovskite solar cell (HT-free PSC): Spinning time and PSC performance relationship
|
Mohammed, Mustafa K.A. |
|
|
754 |
C |
p. |
artikel |
39 |
Engineering of cobalt sulfide (Co5S2) microcubes for selective catalytic hydrogenation of nitroarenes and enhanced calorific value of fuel
|
Mukhtar, Iqra |
|
|
754 |
C |
p. |
artikel |
40 |
Enhancement of photoluminescence in white light emitting glasses by localized surface plasmons of Ag and Au nanoparticles
|
Shasmal, Nilanjana |
|
|
754 |
C |
p. |
artikel |
41 |
Enhancing the photoluminescence of SnS quantum dots by ZnS treatment
|
Cheng, Huai-Yu |
|
|
754 |
C |
p. |
artikel |
42 |
Experimental and computer simulation investigations of ethyl red with modified β-cyclodextrins: Inclusion mechanism and structure characterization
|
Zhao, Ludan |
|
|
754 |
C |
p. |
artikel |
43 |
Extraction of cobalt ions from aqueous solution by microgels for in-situ fabrication of cobalt nanoparticles to degrade toxic dyes: A two fold-environmental application
|
Shahid, Muhammad |
|
|
754 |
C |
p. |
artikel |
44 |
Facile preparation of Pd-SiO2 catalyst through flame spray pyrolysis method for enhanced oxidation of aromatic hydrocarbons
|
Guan, Yunlong |
|
|
754 |
C |
p. |
artikel |
45 |
Fast fragmentation during surface-induced dissociation: An examination of peptide size and structure
|
Barnes, George L. |
|
|
754 |
C |
p. |
artikel |
46 |
First principles study of the vibronic coupling in positively charged C 60 +
|
Huang, Zhishuo |
|
|
754 |
C |
p. |
artikel |
47 |
Fluorescent determination of fluazinam with polyethyleneimine-capped copper nanoclusters
|
Guo, Yuyu |
|
|
754 |
C |
p. |
artikel |
48 |
Free radicals in organic semiconductors during photooxidation: Thin films of polymers P3HT and PCDTBT vs small molecules DRCN5T and BTR
|
Uvarov, Mikhail N. |
|
|
754 |
C |
p. |
artikel |
49 |
Global minimization of aluminum clusters using Gupta potential
|
Keyampi, W.M. |
|
|
754 |
C |
p. |
artikel |
50 |
Graphical abstract TOC
|
|
|
|
754 |
C |
p. |
artikel |
51 |
Graphical abstract TOC
|
|
|
|
754 |
C |
p. |
artikel |
52 |
Graphitic carbon nitride as a fascinating adsorbent for toxic gases: A mini-review
|
Basharnavaz, Hadi |
|
|
754 |
C |
p. |
artikel |
53 |
H-bonding behavior of ethylene oxide within the clathrate hydrates revisited: Experiment and theory
|
Maşlakcı, Zafer |
|
|
754 |
C |
p. |
artikel |
54 |
Highly efficient catalytic reductive degradation of Rhodamine-B over Palladium-reduced graphene oxide nanocomposite
|
Bhat, Sajad Ahmad |
|
|
754 |
C |
p. |
artikel |
55 |
How is a micelle formed from amphiphilic polymers in a dialysis process: Insight from mesoscopic studies
|
Feng, Yun Hao |
|
|
754 |
C |
p. |
artikel |
56 |
Hybrid 3D SERS substrate for Raman spectroscopy
|
Li, Rui |
|
|
754 |
C |
p. |
artikel |
57 |
Identification of potential inhibitors of SARS-CoV-2 main protease from Aloe vera compounds: A molecular docking study
|
Mpiana, Pius T. |
|
|
754 |
C |
p. |
artikel |
58 |
In situ vacuum ellipsometry approach to investigation of glass transition behavior in ionic liquid thin films
|
Ishikawa, Yuki |
|
|
754 |
C |
p. |
artikel |
59 |
Jitter of pump-probe time delays in XFEL experiments: How to eliminate it?
|
Bratos, S. |
|
|
754 |
C |
p. |
artikel |
60 |
La3+ as impurity ions for the synthesis of β-NaLuF4 nanocrystals with high luminance and small size
|
Li, Yangyang |
|
|
754 |
C |
p. |
artikel |
61 |
Large-scale synthesis of CH3NH3BF4 crystal and its application on CH3NH3PbBrx(BF4)(3-x) perovskite thin films
|
Yang, Lijun |
|
|
754 |
C |
p. |
artikel |
62 |
La3+ substituted BiFeO3-a proficient nano ferrite photo-catalyst under the application of visible light
|
Kumar, Praveen |
|
|
754 |
C |
p. |
artikel |
63 |
Lithium extraction from aqueous solution using different metal chloride as co-extraction reagent
|
Li, Hui-fang |
|
|
754 |
C |
p. |
artikel |
64 |
Local potential energy: A novel QTAIM tool to quantify the binding energy of classical hydrogen bonds
|
Firme, Caio L. |
|
|
754 |
C |
p. |
artikel |
65 |
Magnetic properties of 3C-SiC nanowires doped by transition metal and vacancy
|
Su, Jianing |
|
|
754 |
C |
p. |
artikel |
66 |
Mechanistic aspects of metal contents on the characteristics of Cu2ZnSnS4 and the solar cells
|
Long, Bo |
|
|
754 |
C |
p. |
artikel |
67 |
Mechanistic insights of adenine promoted activity of low-molecule tyrosine phosphatase: An ONIOM study
|
Liu, Meili |
|
|
754 |
C |
p. |
artikel |
68 |
Mechanistic study of Selectfluor-mediated digold-catalyzed Csp3-Csp2 coupling reaction
|
Geng, Cuihuan |
|
|
754 |
C |
p. |
artikel |
69 |
Molecular insights into catalytic specificity of α-L-rhamnosidase from Bacteroides thetaiotaomicron by molecular docking and dynamics
|
Li, Dong-Dong |
|
|
754 |
C |
p. |
artikel |
70 |
Nephelauxetic effect and spin – Orbit interaction with Pm3+ and Ho3+ ions in crystals
|
Petrov, Dimitar N. |
|
|
754 |
C |
p. |
artikel |
71 |
Non-covalent interactions of hydrogen cyanide and acetonitrile with the quinoline radical cation via ionic hydrogen bonding
|
Mason, Kyle A. |
|
|
754 |
C |
p. |
artikel |
72 |
One-step preparation of a highly transparent, stretchable and conductive ionic nanocomposite hydrogel
|
Liu, Qunfeng |
|
|
754 |
C |
p. |
artikel |
73 |
On the dual aromaticity and external field induced superhalogen modulation of the AuSc2 cluster: A computational study
|
Wang, Jing |
|
|
754 |
C |
p. |
artikel |
74 |
On the search of small Cu-Ru atomically precise Superatoms. Cu10Ru cluster as a stable 18-ve endohedral structure
|
Rodríguez-Kessler, P.L. |
|
|
754 |
C |
p. |
artikel |
75 |
On the structures, electronic properties, and superhalogen regulation of the MnB6 − cluster: A density functional theory investigation
|
Chen, Jing |
|
|
754 |
C |
p. |
artikel |
76 |
On the theoretical construction of Nb2N2-based superatoms by external field strategies
|
Li, Jun |
|
|
754 |
C |
p. |
artikel |
77 |
Optical, thermal and mechanical properties of a novel bio-organic chlorophyll-b of Ficus religiosa added nickel sulphate hexahydrate crystal for NLO applications
|
Senthilkumar, S. |
|
|
754 |
C |
p. |
artikel |
78 |
Optimal cathodic imposed potential and appropriate catalyst for the synthesis of hydrogen peroxide in microbial electrolysis cell
|
Gupta, Ashutosh |
|
|
754 |
C |
p. |
artikel |
79 |
Paramagnetic centers in graphite oxide according to EPR spectra and DFT calculations
|
Vorobiev, Andrey Kh |
|
|
754 |
C |
p. |
artikel |
80 |
Penning ionization electron spectroscopy of anisole, thioanisole, and selenoanisole by collision with He*(23S): Conjugation effects and conformational stability
|
Ishiguro, Yuki |
|
|
754 |
C |
p. |
artikel |
81 |
Performances of metals modified activated carbons for fluoride removal from aqueous solutions
|
Bakhta, Soumia |
|
|
754 |
C |
p. |
artikel |
82 |
Photosensitivity enhancement at visible in Polyvinylpyrrolidone-based polymers doped with Fe and Cu ions
|
Pan, Mingming |
|
|
754 |
C |
p. |
artikel |
83 |
Physisorption of propane and butane vapors on novel Kagome antimonene sheets – A first-principles perception
|
Bhuvaneswari, R. |
|
|
754 |
C |
p. |
artikel |
84 |
Polypeptide-assisted hydrothermal synthesis of ZnO for room temperature NO2 gas sensor under UV illumination
|
Feng, Chao |
|
|
754 |
C |
p. |
artikel |
85 |
Prediction of solvation free energy and partition coefficient of polychlorinated biphenyls using thermodynamic integration
|
Yang, Li |
|
|
754 |
C |
p. |
artikel |
86 |
Preparation and mechanical properties of graphene-reinforced alumina-matrix composites
|
Shah, W.A. |
|
|
754 |
C |
p. |
artikel |
87 |
Preparation of Ba-doped SrTiO3 photocatalyst by sol-gel method for hydrogen generation
|
Hussain, Tanvir |
|
|
754 |
C |
p. |
artikel |
88 |
Preparation of P-reduced graphene oxide composites by one-step hydrothermal method as stable electrode materials
|
Chen, Peng |
|
|
754 |
C |
p. |
artikel |
89 |
Preparation of (Ti, Zr) co-doped hematite photoanode for enhanced photoelectrochemical water splitting
|
Sun, Zijun |
|
|
754 |
C |
p. |
artikel |
90 |
Pressure-induced charge transfer of Prussian blue analogues Cu0.64Mn0.86[Fe(CN)6]⋅nH2O
|
Liu, Min |
|
|
754 |
C |
p. |
artikel |
91 |
Proton sponges and superbases with nitrogen, phosphorus, arsenic, oxygen, sulfur, and selenium as proton acceptor sites
|
Valadbeigi, Younes |
|
|
754 |
C |
p. |
artikel |
92 |
Quantitative evaluation of transient valence orbital occupations in a 3d transition metal complex as seen from the metal and ligand perspective
|
Jay, Raphael M. |
|
|
754 |
C |
p. |
artikel |
93 |
Red-edge excitation effect on the intersystem crossing of indole solution in ethanol at 77 K
|
Sukhodola, A.A. |
|
|
754 |
C |
p. |
artikel |
94 |
Reduction of Congo red using nitrogen doped fluorescent carbon nanodots obtained from sprout extract of Borassus flabellifer
|
Arul, V. |
|
|
754 |
C |
p. |
artikel |
95 |
Room temperature ferromagnetism and visible light absorption of Fe-doped pentra-ZnO2 monolayer: First-principles calculations
|
Wang, Na |
|
|
754 |
C |
p. |
artikel |
96 |
Self-focusing behaviour of dichlorobis(sarcosinato)zinc(II) complex investigated by DFT computations, fluorescence, laser damaged threshold and Z-scan technique
|
Chitrambalam, S. |
|
|
754 |
C |
p. |
artikel |
97 |
Shock induced TiO2 nanoparticles and its synergistic effect in photovoltic application
|
Annie Vinosha, P. |
|
|
754 |
C |
p. |
artikel |
98 |
Site-specific dynamics of methyl groups probed by temporal evolution of heteronuclear 13C{1H} Overhauser polarisation encoded in 13C – 13C solid-state NMR correlation experiments
|
Purusottam, Rudra N. |
|
|
754 |
C |
p. |
artikel |
99 |
Solute- and concentration-dependent heterogeneous ice nucleation behaviors in AgI composite water droplets
|
Ogawa, Shigesaburo |
|
|
754 |
C |
p. |
artikel |
100 |
Structural and Photo-luminescence examination of red emissive Eu3+-doped nanophosphor synthesized via solution-combustion method
|
Dahiya, Heena |
|
|
754 |
C |
p. |
artikel |
101 |
Structural characterization and electronic properties of Ru-doped Cun (n = 1–12) clusters
|
Morato-Márquez, J.A. |
|
|
754 |
C |
p. |
artikel |
102 |
Structural, optical and photocatalytic properties of ZnS spherical/flake nanostructures by sugar-assisted hydrothermal process
|
Gajendiran, J. |
|
|
754 |
C |
p. |
artikel |
103 |
Structure dependency of the reactivity of aromatic hydrocarbons involving the formation of oxygenated polycyclic aromatic hydrocarbons (OPAHs)
|
Kayanuma, Megumi |
|
|
754 |
C |
p. |
artikel |
104 |
Studies on spectroscopic constants for H2PO and D2PO free radicals
|
Xu, Qiushuang |
|
|
754 |
C |
p. |
artikel |
105 |
Synthesis and characterization of novel Cu (II) and Zn (II) complexes of 5-{[(2-Hydroxyethyl) sulfanyl] methyl}-8-hydroxyquinoline as effective acid corrosion inhibitor by experimental and computational testings
|
Rbaa, M. |
|
|
754 |
C |
p. |
artikel |
106 |
Synthesis, molecular structural investigations, thermal, linear and nonlinear optical properties of a chalcone containing thiophene moiety by experimental and computation method
|
Naik, Vasant S. |
|
|
754 |
C |
p. |
artikel |
107 |
Synthesis of gold nanoparticles, their interfacial self-assembly, and plasma welding: A solution-processable strategy to interdigital electrodes
|
Zhang, Mengyao |
|
|
754 |
C |
p. |
artikel |
108 |
Taylor’s series method for solving the nonlinear reaction-diffusion equation in the electroactive polymer film
|
Usha Rani, R. |
|
|
754 |
C |
p. |
artikel |
109 |
The difference in the improvement of electrochemical hydrogen storage performance between two methods of coating copper on the surface of Co2B alloy
|
Lv, Jian |
|
|
754 |
C |
p. |
artikel |
110 |
The effect of hydrostatic pressure on corrosion electric field considering the mechanochemical coupling effect
|
Xu, Qinglin |
|
|
754 |
C |
p. |
artikel |
111 |
The enhancement of nonlinear absorption of Ag thin film on laser induced defective MoOx buffer layer
|
Li, Zhengwang |
|
|
754 |
C |
p. |
artikel |
112 |
The impact of crystal structures on the magnetic and electronic properties in double perovskite Sr2NiTeO6
|
Tian, Yi |
|
|
754 |
C |
p. |
artikel |
113 |
The key factors and mechanism study on lithium extraction by TBP-FeCl3 extraction system
|
Li, Hui-fang |
|
|
754 |
C |
p. |
artikel |
114 |
The kinetics and thermodynamics investigation of lithium extraction from brine by TBP using Lewis cell technique
|
Li, Hui-fang |
|
|
754 |
C |
p. |
artikel |
115 |
Theoretical assessment of the differences in transition metal embedded fullerene-like Ga12N12 clusters
|
Zhao, Zhen |
|
|
754 |
C |
p. |
artikel |
116 |
Theoretical study of selective hydrogenolysis of methyl vinyl carbinol over Au-Ni bimetallic catalyst: Toward constructing a working hypothesis for the role of dichloroethane solvent and perimeter sites
|
Ato, Yoshinori |
|
|
754 |
C |
p. |
artikel |
117 |
Theoretical study on the Al-doped biphenylene nanosheets as NO sensors
|
Hosseini, Mohammad Reza |
|
|
754 |
C |
p. |
artikel |
118 |
The phase space mechanism for selectivity in a symmetric potential energy surface with a post-transition-state bifurcation
|
Agaoglou, M. |
|
|
754 |
C |
p. |
artikel |
119 |
Thermoelectric properties of all-inorganic perovskite CsSnBr3: A combined experimental and theoretical study
|
Zhang, Yingyue |
|
|
754 |
C |
p. |
artikel |
120 |
The role of silver nanoparticles in performance of multi-quantum well double heterojunction InGaN/GaN solar cells
|
Piralaee, Mina |
|
|
754 |
C |
p. |
artikel |
121 |
To the synthesis and characterization of layered metal phosphorus triselenides proposed for electrochemical sensing and energy applications
|
Dedkov, Yuriy |
|
|
754 |
C |
p. |
artikel |
122 |
Trajectories of electron vortices in photoionization by bichromatic co-rotating circularly polarized laser fields
|
Ji, Lei |
|
|
754 |
C |
p. |
artikel |
123 |
Tuning the branching ratio in a symmetric potential energy surface with a post-transition state bifurcation using external time dependence
|
García-Garrido, V.J. |
|
|
754 |
C |
p. |
artikel |
124 |
Visible light photocatalytic properties of cubic and orthorhombic SnS nanoparticles
|
Hegde, S.S. |
|
|
754 |
C |
p. |
artikel |