| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio molecular dynamics study of SiO2 lithiation
|
Abate, Iwnetim Iwnetu
|
|
|
739 |
C |
p.
|
artikel
|
| 2 |
Accurate ab initio vibronic spectroscopy of the CCP and CCAs radicals
|
Lu, Qing
|
|
|
739 |
C |
p.
|
artikel
|
| 3 |
Adsorption of phenol on porous carbon from Toona sinensis leaves and its mechanism
|
Kong, Xiaodong
|
|
|
739 |
C |
p.
|
artikel
|
| 4 |
Adsorption properties of formaldehyde on β12-borophene surfaces: A first-principles study
|
Liu, Xiaocong
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|
|
739 |
C |
p.
|
artikel
|
| 5 |
A fast and simple evaluation of the chemical reactivity properties of the Pristinamycin family of antimicrobial peptides
|
Flores-Holguín, Norma
|
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|
739 |
C |
p.
|
artikel
|
| 6 |
Aging and depth profiling of inhomogeneities and interactions of CO molecules on sputtered Pt film using ATR IR spectroscopy with lineshape analysis
|
Ha, Jeong-Hyon
|
|
|
739 |
C |
p.
|
artikel
|
| 7 |
A highly selective and sensitive spectroscopic method for detection of Cu2+ in aqueous solution using polyaniline
|
Kalanidhi, K.
|
|
|
739 |
C |
p.
|
artikel
|
| 8 |
A method to describe energy changes in UV–vis absorbance spectra during the aggregation process of conjugated polymer solutions
|
Zhao, Xinyi
|
|
|
739 |
C |
p.
|
artikel
|
| 9 |
A numerical analysis of motion in symmetric double-well harmonic potentials using pseudospectral methods
|
Kowari, Ken-ichi
|
|
|
739 |
C |
p.
|
artikel
|
| 10 |
Asymptotic behavior of the energetics and electronic structures of graphene with pyridinic defects
|
Maruyama, Mina
|
|
|
739 |
C |
p.
|
artikel
|
| 11 |
Atmospheric chemistry of the reaction between propylene carbonate and OH radical: An ab initio RRKM-based master equation study
|
Mai, Tam V.-T.
|
|
|
739 |
C |
p.
|
artikel
|
| 12 |
Be3 −, an ab initio study
|
Kalemos, Apostolos
|
|
|
739 |
C |
p.
|
artikel
|
| 13 |
Carbon nanofiber modified with reduced graphite oxide for detection of ascorbic acid, dopamine, and uric acid
|
Aryal, Krishna Prasad
|
|
|
739 |
C |
p.
|
artikel
|
| 14 |
Carbon quantum dots sensitized Bi2O3 photoanode with enhanced photoelectrocatalytic properties
|
Yang, Haichao
|
|
|
739 |
C |
p.
|
artikel
|
| 15 |
Chemically interconnected ternary AgNP/polypyrrole/functionalized buckypaper composites as high-energy-density supercapacitor electrodes
|
Kim, Hyungjoo
|
|
|
739 |
C |
p.
|
artikel
|
| 16 |
Classical density functional theory reveals coexisting short-range structural decay and long-range force decay in ionic liquids
|
Ma, Ke
|
|
|
739 |
C |
p.
|
artikel
|
| 17 |
Cobalt phthalocyanine is a suitable scaffold for lithium polysulfide (Li2Sn n = 2–8)
|
Cheviri, Meera
|
|
|
739 |
C |
p.
|
artikel
|
| 18 |
Comparison of isomeric C3H7O+ ion mobilities using fragment ions from 2-butanol and tert-butanol in He and Ne
|
Takaya, Kazunari
|
|
|
739 |
C |
p.
|
artikel
|
| 19 |
Controllable interfacial adhesion behaviors of polymer-on-polymer surfaces during fused deposition modeling 3D printing process
|
Zhang, Xu
|
|
|
739 |
C |
p.
|
artikel
|
| 20 |
Controlled synthesis of large scale continuous monolayer WS2 film by atmospheric pressure chemical vapor deposition
|
Meng, Lan
|
|
|
739 |
C |
p.
|
artikel
|
| 21 |
Crystal structure and optical absorption properties of Er and Yb doped InTaO4 and InTaO4-yNy as photocatalysts under visible light
|
Cruz-Puerto, Juan
|
|
|
739 |
C |
p.
|
artikel
|
| 22 |
Decomposition of ammonia on ZrB2(0001)
|
Walkosz, Weronika
|
|
|
739 |
C |
p.
|
artikel
|
| 23 |
Detection of singlet oxygen by chemical trap in ionic liquids
|
Liu, Li
|
|
|
739 |
C |
p.
|
artikel
|
| 24 |
Editorial Board
|
|
|
|
739 |
C |
p.
|
artikel
|
| 25 |
Effect of ruthenium based catalyst loading on the electrochemical properties of carbon xerogel
|
Das, Tapas
|
|
|
739 |
C |
p.
|
artikel
|
| 26 |
Effect of valency of cation on micellization behaviour of pluronic mixed micelle F127 and L64
|
Sheelarani, B.
|
|
|
739 |
C |
p.
|
artikel
|
| 27 |
Efficiency enhancement of quantum-dot light-emitting diodes via rapid post-treatment of intense pulsed light sintering technique
|
Tang, Pengyu
|
|
|
739 |
C |
p.
|
artikel
|
| 28 |
Electrochemical influence of quartz on cyanide leaching of gold
|
Han, Jiahong
|
|
|
739 |
C |
p.
|
artikel
|
| 29 |
Enhanced photocatalytic performance of ZnSnO3/rGO nanocomposite
|
Gnanamoorthy, G.
|
|
|
739 |
C |
p.
|
artikel
|
| 30 |
Error bounds on goodness of fit indicators in vibrational circular dichroism spectroscopy
|
Monaco, Guglielmo
|
|
|
739 |
C |
p.
|
artikel
|
| 31 |
Exploring the limits of electronic transmutation: Ab initio study of LinBen (n = 3–5)
|
Lundell, K.A.
|
|
|
739 |
C |
p.
|
artikel
|
| 32 |
Facile preparation of flower-like MnO2/reduced graphene oxide (RGO) nanocomposite and investigation of its microwave absorption performance
|
Hu, Jian
|
|
|
739 |
C |
p.
|
artikel
|
| 33 |
Facile synthesis of CNTs/Co(OH)2 hybrid nanostructures for high-performance electrochemical supercapacitor
|
Li, Wei-Shuo
|
|
|
739 |
C |
p.
|
artikel
|
| 34 |
Fragmentation kinematics of SF6 upon photo–excitation of S( 2 p ) core shell and subsequent Auger decays
|
Saha, K.
|
|
|
739 |
C |
p.
|
artikel
|
| 35 |
Functionalized silica surfaces as carriers for monoclonal antibodies in targeted drug delivery systems: Accelerated molecular dynamics study
|
Nejad, Marjan A.
|
|
|
739 |
C |
p.
|
artikel
|
| 36 |
Graphical abstract TOC
|
|
|
|
739 |
C |
p.
|
artikel
|
| 37 |
Graphical abstract TOCa
|
|
|
|
739 |
C |
p.
|
artikel
|
| 38 |
H/D and 12C/13C vapor pressure isotope effects in liquid methylene difluoride studied by density functional theory
|
Mitome, Ryota
|
|
|
739 |
C |
p.
|
artikel
|
| 39 |
Hierarchical TiO2 microsphere assembled from nanosheets with high photocatalytic activity and stability
|
Hu, Jie
|
|
|
739 |
C |
p.
|
artikel
|
| 40 |
High endurance of bipolar resistive switching in a Pt/LaNiO3/Nb:SrZrO3/Cu stack: The role of Cu modulating layer
|
Shao, F.
|
|
|
739 |
C |
p.
|
artikel
|
| 41 |
High switch ratio, self-powered ultraviolet photodetector based on a ZnOEP/GaN p-n heterojunction with porous structure on GaN
|
Xiao, Yan
|
|
|
739 |
C |
p.
|
artikel
|
| 42 |
Hydrogenation Dynamics Process of Single-Wall Carbon Nanotube Twisted
|
De Sousa, J.M.
|
|
|
739 |
C |
p.
|
artikel
|
| 43 |
Hydrogen bonding in dicyclohexylmethane – or diphenylmethane based urea compounds and their polymer counterparts investigated by NMR spectroscopy: Interplay of electronic and geometrical factors
|
Mokeev, Maxim V.
|
|
|
739 |
C |
p.
|
artikel
|
| 44 |
Hydrolysis mechanism of double six–membered ring pentaborate anion
|
Zhou, Hong-Xia
|
|
|
739 |
C |
p.
|
artikel
|
| 45 |
Hydrophobic agglomeration of montmorillonite fines in aqueous solutions induced by dodecyl trimethyl ammonium bromides
|
Zhan, Weiquan
|
|
|
739 |
C |
p.
|
artikel
|
| 46 |
Improving the electromagnetic shielding of fabricated NdFeB particles by a coating thin carbonaceous layer
|
Hosseinabadi, Sedigheh
|
|
|
739 |
C |
p.
|
artikel
|
| 47 |
In situ topological transformation of hierarchical TiO2 hollow nanobricks as efficient scattering layer for dye-sensitized solar cells
|
Xie, Fengyan
|
|
|
739 |
C |
p.
|
artikel
|
| 48 |
Interfacial charge-transfer transitions between TiO2 and indole
|
Fujisawa, Jun-ichi
|
|
|
739 |
C |
p.
|
artikel
|
| 49 |
Investigation of the rare earth-based LaYO3 (Y = Cr and Mn) perovskites by ab-initio approach
|
Noor, N.A.
|
|
|
739 |
C |
p.
|
artikel
|
| 50 |
Jatropha extract mediated synthesis of ZnFe2O4 nanopowder: Excellent performance as an electrochemical sensor, UV photocatalyst and an antibacterial activity
|
Surendra, B.S.
|
|
|
739 |
C |
p.
|
artikel
|
| 51 |
Kinetics, mechanism and CH3C(O)CH3 formation in the Cl-initiated oxidation of 1,8-cineole at 298 K and atmospheric pressure
|
Imwinkelried, Gabriel
|
|
|
739 |
C |
p.
|
artikel
|
| 52 |
Low-cost visible-light photosynthesis of water and adsorbed carbon dioxide into long-chain hydrocarbons
|
Wang, Cong
|
|
|
739 |
C |
p.
|
artikel
|
| 53 |
Mechanical and thermal-insulating performance of silica aerogel enhanced jointly with glass fiber and fumed silica by a facile compressing technique
|
Tian, Jiaqi
|
|
|
739 |
C |
p.
|
artikel
|
| 54 |
Mechanistic details of methane dry reforming on copper-nickel bimetallic surfaces
|
Boualouache, Adel
|
|
|
739 |
C |
p.
|
artikel
|
| 55 |
Microsolvation, hydrogen bond dynamics and excited state hydrogen atom transfer mechanism of 2′,4′-dihydroxychalcone
|
Ramu, Yelechakanahalli Lingaraju
|
|
|
739 |
C |
p.
|
artikel
|
| 56 |
Molecular dynamic simulations investigating the wetting and interfacial properties of acrylonitrile nanodroplets in contact with variously functionalized graphene sheets
|
Li, Kun
|
|
|
739 |
C |
p.
|
artikel
|
| 57 |
Molecular dynamics study of the behaviour of surfactant Triton X-100 in the extraction process of Cd2+
|
Pacheco-Blas, María del Alba
|
|
|
739 |
C |
p.
|
artikel
|
| 58 |
Molecular, vibrational (FT-IR and FT-Raman), NMR and UV spectral analysis of imidazo[1,2-b]pyridazine using experimental and DFT calculations
|
Tagore, S. Sharmila
|
|
|
739 |
C |
p.
|
artikel
|
| 59 |
Multiple sharp terahertz absorption peaks in rhombic sulfur detected using high-resolution terahertz spectroscopy
|
Yasuda, Arata
|
|
|
739 |
C |
p.
|
artikel
|
| 60 |
Nanostructural, magnetic and electronic transport properties of Cu-Zn mixed ferrimagnetite
|
Sankpal, U.B.
|
|
|
739 |
C |
p.
|
artikel
|
| 61 |
Nonlinear refraction, absorption and optical limiting properties of disperse blue 14 dye
|
Jeyaram, S.
|
|
|
739 |
C |
p.
|
artikel
|
| 62 |
OH radical formation by the photocatalytic reduction reactions of H2O2 on the surface of plasmonic excited Au-TiO2 photocatalysts
|
Hayashi, Tomoya
|
|
|
739 |
C |
p.
|
artikel
|
| 63 |
One-electron oxidation and redox potential of nucleobases and deoxyribonucleosides computed by QM/MM simulations
|
Wang, Jiayue
|
|
|
739 |
C |
p.
|
artikel
|
| 64 |
On preconditioning the self-consistent field iteration in real-space Density Functional Theory
|
Kumar, Shashikant
|
|
|
739 |
C |
p.
|
artikel
|
| 65 |
Orientation dependence of phase memory relaxation in the V(IV) ion at high frequencies
|
Jackson, Cassidy E.
|
|
|
739 |
C |
p.
|
artikel
|
| 66 |
Overall and state-specific electronic quenching of atomic sulfur S(3p34p 3P J ) by collisions with He
|
Kawabata, Daigo
|
|
|
739 |
C |
p.
|
artikel
|
| 67 |
Phosphorescence properties of anionic cyclometalated platinum(II) complexes with fluorine-substituted tridentate diphenylpyridine in the solid state
|
Ogawa, Tomohiro
|
|
|
739 |
C |
p.
|
artikel
|
| 68 |
Photodeposition of Pt on the Bi2WO6 nanosheets under irradiation of 365 nm and 450 nm LED lights
|
Zhang, Peng
|
|
|
739 |
C |
p.
|
artikel
|
| 69 |
Photolysis of sulfadiazine under UV radiation: Effects of the initial sulfadiazine concentration, pH, NO3 − and Cd2+
|
Li, Hui
|
|
|
739 |
C |
p.
|
artikel
|
| 70 |
Polymerization of aluminate monomer in its initial nucleation stage of organic alkali solution revealed by ReaxFF molecular dynamics simulation
|
Guo, Jianwei
|
|
|
739 |
C |
p.
|
artikel
|
| 71 |
Polysaccharide conformations measured by solution state X-ray scattering
|
Mansel, Bradley W.
|
|
|
739 |
C |
p.
|
artikel
|
| 72 |
Post-KOH activation of nitrogen-containing porous carbon with ordering mesostructure synthesized through a self-assembly
|
Yu, JuHyon
|
|
|
739 |
C |
p.
|
artikel
|
| 73 |
Preparation and photoelectric properties of SnOx films with tunable optical bandgap
|
Wang, Fang
|
|
|
739 |
C |
p.
|
artikel
|
| 74 |
Pressure-induced irreversible amorphization of naphthalene and nitrogen-containing heteroaromatic compounds at room temperature
|
Shinozaki, Ayako
|
|
|
739 |
C |
p.
|
artikel
|
| 75 |
Quantum dots based near-infrared fluorescent probe for the detection of PepT1 expression in colorectal cancer
|
Niu, Qi
|
|
|
739 |
C |
p.
|
artikel
|
| 76 |
Reaction violence difference revealed by reactive molecular dynamics: Comparison of the thermal decomposition of hexahydro-1, 3, 5-trinitro-1, 3, 5-triazine and benzotrifuroxan
|
Huang, Xiaona
|
|
|
739 |
C |
p.
|
artikel
|
| 77 |
Removal of Cr (VI) from aqueous solution using VO2(B) nanoparticles
|
Kumar, Pawan
|
|
|
739 |
C |
p.
|
artikel
|
| 78 |
Resonant electron capture by kinetin and 6-benzylaminopurine molecules
|
Muftakhov, Mars V.
|
|
|
739 |
C |
p.
|
artikel
|
| 79 |
Self-assembly and growth mechanism of porous Fe2O3 nanowhiskers
|
Xia, Min
|
|
|
739 |
C |
p.
|
artikel
|
| 80 |
Single source precursor route to iron sulfide nanomaterials for energy storage
|
Lozano, Juan G.
|
|
|
739 |
C |
p.
|
artikel
|
| 81 |
Spectroscopic evaluation of Er3+-to-Sm3+ energy transfer in TeO2:ZnO glass under NIR/VIS excitation
|
da Paz, I.R.S.C.
|
|
|
739 |
C |
p.
|
artikel
|
| 82 |
Spheroidal growth of graphite in arc plasma treatment
|
Sahu, R.K.
|
|
|
739 |
C |
p.
|
artikel
|
| 83 |
Spin-crossover in the iron(II) complex based on dihydro-bis(pyrazolyl)borate and 1,10-phenanthroline-5,6-dione
|
Vlasenko, Valery G.
|
|
|
739 |
C |
p.
|
artikel
|
| 84 |
Spiropyran labeling for sensitive probing of protein diffusion by the transient grating method
|
Takaramoto, Shunki
|
|
|
739 |
C |
p.
|
artikel
|
| 85 |
Stabilization of self-assembled lipids in exfoliated organo-nanosheets
|
Tanaka, Tomonari
|
|
|
739 |
C |
p.
|
artikel
|
| 86 |
Stabilized Ni nanoparticles derived from silicate via hydrothermal method for carbon dioxide reforming of methane
|
Kong, Wenbo
|
|
|
739 |
C |
p.
|
artikel
|
| 87 |
Static correlation in vibrational frequencies studied using thermally-assisted-occupation density functional theory
|
Hanson-Heine, Magnus W.D.
|
|
|
739 |
C |
p.
|
artikel
|
| 88 |
Structural and energy bandgap modification of chemically synthesized Cd(Zn, Cu)Se thin films
|
Chavan, G.T.
|
|
|
739 |
C |
p.
|
artikel
|
| 89 |
Structural and magnetic properties of Fe-doped SnS2 nanopowders synthesized by solid-state reaction method
|
Huang, Xuting
|
|
|
739 |
C |
p.
|
artikel
|
| 90 |
Structural, morphological and optical properties of iron sulfide, cobalt sulfide, copper sulfide, zinc sulfide and copper-iron sulfide nanoparticles synthesized from single source precursors
|
Sathiyaraj, E.
|
|
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739 |
C |
p.
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artikel
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| 91 |
Structures, electronic and magnetic properties of transition metal atoms encapsulated in B12N12 cage
|
Zhao, Zhen
|
|
|
739 |
C |
p.
|
artikel
|
| 92 |
Study of the functionalization of a hybrid BxCyNz sheet by adsorption of fluorine: Structural, electronic and magnetic properties
|
Guedes, Jemima P.
|
|
|
739 |
C |
p.
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artikel
|
| 93 |
Template free synthesis of calcium-tin (CaSn3) bimetallic micro cubes: Characterization, catalytic activity, adsorption and additive properties
|
Khan, Shanza Rauf
|
|
|
739 |
C |
p.
|
artikel
|
| 94 |
The electronic and transport properties of MoS2 combined with thiol-based molecules: A first principles study
|
Sun, Jie
|
|
|
739 |
C |
p.
|
artikel
|
| 95 |
The electronic spectrum of C60
|
Andersson, Kerstin
|
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739 |
C |
p.
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artikel
|
| 96 |
The high capacity hydrogen storage material of Y-doped B40: A theoretical study
|
Zhang, Yafei
|
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739 |
C |
p.
|
artikel
|
| 97 |
The isotopic dependence and influence of driving laser intensity on the harmonic yields of diatomic molecule ions X2 +
|
Liu, Hang
|
|
|
739 |
C |
p.
|
artikel
|
| 98 |
The oxidation mechanism and kinetics of 2′-deoxyguanosine by carbonate radical anion
|
Wang, Yuyue
|
|
|
739 |
C |
p.
|
artikel
|
| 99 |
The photocatalytic performance of the ZnO/g-C3N4 composite photocatalyst toward degradation of organic pollutants and its inactivity toward hydrogen evolution: The influence of light irradiation and charge transfer
|
Ismael, Mohammed
|
|
|
739 |
C |
p.
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artikel
|
| 100 |
The radical scavenging activity of natural ramalin: A mechanistic and kinetic study
|
Vo, Quan V.
|
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|
739 |
C |
p.
|
artikel
|
| 101 |
Thermal decomposition of the HXeCl···H2O complex in solid xenon: Experimental characterization of the two-body decomposition channel
|
Tsuge, Masashi
|
|
|
739 |
C |
p.
|
artikel
|
| 102 |
Thermochemistry of organometallic compounds: Structure-property relationships in alkylferrocenes
|
Verevkin, Sergey P.
|
|
|
739 |
C |
p.
|
artikel
|
| 103 |
Thermodynamic, kinetic and structural investigation of the catalytic role of some protic solvents on the proton transfer reaction in hydantoin: Density functional theory study
|
Safi, Zaki S.
|
|
|
739 |
C |
p.
|
artikel
|
| 104 |
Transport between one dimensional disjoint nanochannels
|
Meng, X.W.
|
|
|
739 |
C |
p.
|
artikel
|
| 105 |
Tunable magnetic properties of fluorinated two-dimensional Tetra-MoN2
|
Guo, Chunsheng
|
|
|
739 |
C |
p.
|
artikel
|
| 106 |
Two-photon resonances, ac Stark splittings, and shifts of the resonance peaks in Doppler free absorptive lineshapes of a double-lambda type four level system
|
Kora, Monojit
|
|
|
739 |
C |
p.
|
artikel
|
| 107 |
Understanding the mechanism of photochromism in double-layer metal oxide using X-ray photoelectron spectroscopy
|
Takaki, Hidetaka
|
|
|
739 |
C |
p.
|
artikel
|
| 108 |
Unraveling electronic states and relaxation dynamics in ultraviolet excited crotonaldehyde via femtosecond time-resolved photoelectron imaging
|
Gu, Zhenfei
|
|
|
739 |
C |
p.
|
artikel
|
| 109 |
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations
|
Salta, Zoi
|
|
|
739 |
C |
p.
|
artikel
|
| 110 |
Utilising the adsorptivity of mesoporous carbon nanotubes to prepare nanomaterials: A shape-controllable and catalyst-free preparation mechanism of tungsten nanowire and nanodots
|
Ren, Xiao-Na
|
|
|
739 |
C |
p.
|
artikel
|
| 111 |
Visible photodissociation study of NO dimer cation using ion imaging technique combined with theoretical calculations
|
Ito, Yuri
|
|
|
739 |
C |
p.
|
artikel
|
| 112 |
Zintl phase crystal assembled by magic Al6CNa4 cluster
|
Zhou, Tao
|
|
|
739 |
C |
p.
|
artikel
|
| 113 |
ZnO-assisted synthesis of multilayered Cu2(OH)3NO3 nanoplates and application removal of methyl orange
|
Dai, Tingting
|
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|
739 |
C |
p.
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artikel
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