| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A Bio-inspired smart nanochannel based on gelatin modification
|
An, Pengrong
|
|
|
801 |
C |
p.
|
artikel
|
| 2 |
A CGA-ONIOM-DFT framework for accurate and efficient determination of thermodynamics and Kinetics: Case study of cyclopentane reaction with hydroxyl radical
|
Wu, Junjun
|
|
|
801 |
C |
p.
|
artikel
|
| 3 |
A novel synthesis of GeO2/Ge composite as an anode material for lithium-ion batteries
|
Nhung Thi Nguyen, Hong
|
|
|
801 |
C |
p.
|
artikel
|
| 4 |
B8C10: A C2v planar polycyclic structure bridged by the central strong CC bond and strengthened by the aromaticity
|
Lu, Sheng-Jie
|
|
|
801 |
C |
p.
|
artikel
|
| 5 |
Benchmark potential energy curve for collinear H3
|
Ferenc, Dávid
|
|
|
801 |
C |
p.
|
artikel
|
| 6 |
Calculation of electric field gradients for CdI2 in the gas phase using BOMD simulations
|
Fromsejer, Rasmus
|
|
|
801 |
C |
p.
|
artikel
|
| 7 |
Charging/discharging mechanism in Mg3Bi2 anode for Mg-ion batteries; The role of the spin-orbit coupling
|
Assadi, M. Hussein N.
|
|
|
801 |
C |
p.
|
artikel
|
| 8 |
Chemoselective hydrogenation of cinnamaldehyde over amorphous coordination polymer supported Pt-Co bimetallic nanocatalyst
|
Tang, Yi
|
|
|
801 |
C |
p.
|
artikel
|
| 9 |
Classical approach based on full-size adiabatic potential energy surfaces to the thermal expansion of the Jahn-Teller molecules. Example of niobium tetrahalides NbX4 (X = Br, I)
|
Sliznev, Valery V.
|
|
|
801 |
C |
p.
|
artikel
|
| 10 |
Conformational influence on the thermal rate constants and product distributions of 2-butanone + H abstraction reactions
|
Passos, Maiara Oliveira
|
|
|
801 |
C |
p.
|
artikel
|
| 11 |
Contents continued
|
|
|
|
801 |
C |
p.
|
artikel
|
| 12 |
Controllable sensitivity mechanism in an energetic compound of [FeII(Rtrz)6] as a molecular switch
|
Liu, Min
|
|
|
801 |
C |
p.
|
artikel
|
| 13 |
Direct observation of nucleus of lithium in a C60 fullerene cage by neutron diffraction study
|
Kwon, E.
|
|
|
801 |
C |
p.
|
artikel
|
| 14 |
Editorial Board
|
|
|
|
801 |
C |
p.
|
artikel
|
| 15 |
Effect of aromatic linkers on thermally activated delayed fluorescence of selected organic molecules
|
Paras,
|
|
|
801 |
C |
p.
|
artikel
|
| 16 |
Effect of particle composition on microstructure and resistivity of indium tin oxide targets
|
Liu, Ting
|
|
|
801 |
C |
p.
|
artikel
|
| 17 |
Effects of different halogen and chalcogen substitutions on the ESIPT process of benzoxazole derivatives: Theoretical research
|
Cao, Yunjian
|
|
|
801 |
C |
p.
|
artikel
|
| 18 |
Engineering of A-π-D-π-A system based non-fullerene acceptors to enhance the photovoltaic properties of organic solar cells; A DFT approach
|
Rani, Mafia
|
|
|
801 |
C |
p.
|
artikel
|
| 19 |
Enhanced visible light-driven photocatalytic destruction of decontaminants over Bi2O3/BiVO4 heterojunctions with rich oxygen vacancies
|
Li, Youmei
|
|
|
801 |
C |
p.
|
artikel
|
| 20 |
Fabrication of ZnS layer on silicon nanopillars surface for photoresistor application
|
Liu, Jing
|
|
|
801 |
C |
p.
|
artikel
|
| 21 |
Feed-forward neural networks for fitting of kinetic energy and its functional derivative
|
Gangwar, Aparna
|
|
|
801 |
C |
p.
|
artikel
|
| 22 |
First-principles study on the magnetic and electronic properties of quadruple perovskite CeCu3Co4O12
|
Li, Hongping
|
|
|
801 |
C |
p.
|
artikel
|
| 23 |
Graphical abstract TOC
|
|
|
|
801 |
C |
p.
|
artikel
|
| 24 |
Graphical abstract TOC
|
|
|
|
801 |
C |
p.
|
artikel
|
| 25 |
Green synthesis of AgCl nanoparticles using Calotropis gigantea: Characterization and their enhanced antibacterial activities
|
Mandal, Biplab Kumar
|
|
|
801 |
C |
p.
|
artikel
|
| 26 |
Growth and characterization of GeSnO thin films for thermoelectric power generation applications
|
Ullah, Inaam
|
|
|
801 |
C |
p.
|
artikel
|
| 27 |
Influence of Coulomb term on thermal properties of fluorine
|
Ghanbari, A.
|
|
|
801 |
C |
p.
|
artikel
|
| 28 |
Influence of the composition and morphology of PdNiFe/C nanocatalysts toward ethanol oxidation
|
Clímaco, Fabien R.
|
|
|
801 |
C |
p.
|
artikel
|
| 29 |
Inhibition of lysozyme fibrillation by functional groups in graphene oxide quantum dots
|
Yang, Yongqiang
|
|
|
801 |
C |
p.
|
artikel
|
| 30 |
Insight into the complexation of heptavalent technetium with tri-n-butyl phosphate: A computational study
|
Sengupta, Somnath
|
|
|
801 |
C |
p.
|
artikel
|
| 31 |
Ionic liquid dopant for hole transporting layer towards efficient LiTFSI-free perovskite solar cells
|
Zhu, Hao
|
|
|
801 |
C |
p.
|
artikel
|
| 32 |
Kinetic study of photopolymerization and depolymerization in C60 films using in situ Fourier-transform infrared spectroscopy for development of C60-based thermoelectric materials
|
Izumi, Tatsuma
|
|
|
801 |
C |
p.
|
artikel
|
| 33 |
On the solvation model and infrared spectroscopy of liquid water
|
Pansini, Fernando N.N.
|
|
|
801 |
C |
p.
|
artikel
|
| 34 |
Piezocatalytic performance difference of graphitic carbon nitride (g-C3N4) derived from different precursors
|
Shao, Yuqiu
|
|
|
801 |
C |
p.
|
artikel
|
| 35 |
Plasma-Treated F modified TiO2 impact to enhance the photocatalytic performance of TiO2
|
Yu, Bo
|
|
|
801 |
C |
p.
|
artikel
|
| 36 |
Prediction of thermal properties of phosphorus dimer – The analytical approach
|
Eyube, E.S.
|
|
|
801 |
C |
p.
|
artikel
|
| 37 |
Quantum chemical simulations of benzothiadiazole (BT) based small molecule donor materials for efficient organic solar cells
|
Anwar, Sidra
|
|
|
801 |
C |
p.
|
artikel
|
| 38 |
Removal of amaranth dye by modified Ngassa clay: Linear and non-linear equilibrium, kinetics and statistical study
|
Dobe, Narcisse
|
|
|
801 |
C |
p.
|
artikel
|
| 39 |
Residual solvent-assisted facile deposition of honeycomb-like silver nanoflakes on the surface of electrospun PAN nanofibers
|
Thapa, Kshitij
|
|
|
801 |
C |
p.
|
artikel
|
| 40 |
Response surface methodology adhering central composite design for the optimization of Zn (II) adsorption using rice husk nanoadsorbent
|
Kaur, Mandeep
|
|
|
801 |
C |
p.
|
artikel
|
| 41 |
Solid-solid transition of microcrystalline oligo(phenylene ethynylene)s: Impact of crystalline structure on optoelectronic properties
|
Hattori, Yusuke
|
|
|
801 |
C |
p.
|
artikel
|
| 42 |
Structures and spectroscopic properties of K+(H2O)n with n = 1–10 clusters based on density functional theory
|
Jia, Nan
|
|
|
801 |
C |
p.
|
artikel
|
| 43 |
Synthesis of PI/ZIF-8 aerogel with hierarchical porous structure for enhanced CO2 capture performance
|
Zhang, Zhongshan
|
|
|
801 |
C |
p.
|
artikel
|
| 44 |
The adsorption of Tenofovir in aqueous solution on activated carbon produced from maize cobs: Insights from experimental, molecular dynamics simulation, and DFT calculations
|
Ajebli, S.
|
|
|
801 |
C |
p.
|
artikel
|
| 45 |
The antioxidant capacity of myricetin. A molecular electrostatic potential analysis based on DFT calculations
|
Kenouche, Samir
|
|
|
801 |
C |
p.
|
artikel
|
| 46 |
Theoretical insights into the role of regiochemistry in thermal stability regulation of energetic materials
|
Lv, Meiheng
|
|
|
801 |
C |
p.
|
artikel
|
| 47 |
Theoretical studies on the photophysical property of 3DPyM-pDTC in solution and in the solid phase
|
Wu, Gaiyan
|
|
|
801 |
C |
p.
|
artikel
|
| 48 |
The preparation of transition-metal-carbides membrane and its promising application in solar steam generation
|
Zhang, Fa-Guo
|
|
|
801 |
C |
p.
|
artikel
|
| 49 |
Xanthan gum with double-helix structure as a novel aqueous binder to stabilize lithium-rich cathode
|
Zhang, Yuxia
|
|
|
801 |
C |
p.
|
artikel
|
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