| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A combined chrome oxide and titanium oxide based electron-transport layer for high-performance perovskite solar cells
|
Liu, Guanchen
|
|
|
771 |
C |
p.
|
artikel
|
| 2 |
All-electron triple zeta basis sets for ZORA calculations: Application in studies of atoms and molecules
|
Canal Neto, A.
|
|
|
771 |
C |
p.
|
artikel
|
| 3 |
Analytical treatments for magnetic multipole moment integrals
|
Aytaç Yükçü, Sılay
|
|
|
771 |
C |
p.
|
artikel
|
| 4 |
A new metal-organic framework of 3,9-diazatetraasterane-1,5,7,11-tetracarboxylic acid-3,6,9,12-tetraphenyl with sodium ion: Synthesis, characterization and DFT calculations
|
Fan, Qiangwen
|
|
|
771 |
C |
p.
|
artikel
|
| 5 |
A periodic density functional theory study on methanol adsorption in HSAPO-34 zeolites
|
Wang, Zishen
|
|
|
771 |
C |
p.
|
artikel
|
| 6 |
A theoretical investigation of the crystal structure and electronic characters of trivalent Er3+ doped yttrium aluminum garnet
|
Wang, Anxu
|
|
|
771 |
C |
p.
|
artikel
|
| 7 |
Biological perspective of thiazolide derivatives against Mpro and MTase of SARS-CoV-2: Molecular docking, DFT and MD simulation investigations
|
Rasool, Nouman
|
|
|
771 |
C |
p.
|
artikel
|
| 8 |
Cadmium removal from diluted wastewater by using high-phosphorus-culture modified microalgae
|
Wang, Zhixin
|
|
|
771 |
C |
p.
|
artikel
|
| 9 |
Capped cadmium telluride quantum dots fluorescence enhancement by Se(IV) and its application to dietary supplements analysis
|
Gonçalves Benzi, Leandro
|
|
|
771 |
C |
p.
|
artikel
|
| 10 |
Chemical denaturation of gas-phase albumin ions studied by photoelectron detachment yield spectroscopy and infrared laser ablation of droplet beams
|
Kitazaki, Akihiro
|
|
|
771 |
C |
p.
|
artikel
|
| 11 |
Chiral correlation effect in asymmetric induction
|
Tian, Yin
|
|
|
771 |
C |
p.
|
artikel
|
| 12 |
Clustering of carbon dioxide around zinc oxide cluster
|
Gangwar, Peaush
|
|
|
771 |
C |
p.
|
artikel
|
| 13 |
Contents continued
|
|
|
|
771 |
C |
p.
|
artikel
|
| 14 |
Editorial Board
|
|
|
|
771 |
C |
p.
|
artikel
|
| 15 |
Electrical conductivity and hydrophobicity of graphene oxide-modified carbon nanofibers
|
Huang, He-Dong
|
|
|
771 |
C |
p.
|
artikel
|
| 16 |
Electronic and magnetic properties of twisted silver and palladium nanorods using density functional theory
|
Ge, Liangjing
|
|
|
771 |
C |
p.
|
artikel
|
| 17 |
Electronic and structural properties of Janus MoSSe/MoX2 (X = S,Se) in-plane heterojunctions: A DFT study
|
dos Santos, Ramiro M.
|
|
|
771 |
C |
p.
|
artikel
|
| 18 |
Electronic, electrical and dielectric analysis of Cr-doped hydroxyapatite
|
Iqbal, Sajid
|
|
|
771 |
C |
p.
|
artikel
|
| 19 |
Electronic states and spectroscopic parameters of the iodocarbyne cation, CI+
|
de Melo, Gabriel Fernando
|
|
|
771 |
C |
p.
|
artikel
|
| 20 |
Elucidation of the structures of aluminate ions during the dissolution of gibbsite in choline and verification of hydrated ion model
|
Guo, Jianwei
|
|
|
771 |
C |
p.
|
artikel
|
| 21 |
Energetic characteristics of the substituents in para- and meta-substituted derivatives of benzoic acids
|
Jabłoński, Mirosław
|
|
|
771 |
C |
p.
|
artikel
|
| 22 |
Enhanced photocatalytic degradation of tetracycline antibiotic using m-BiVO4 photocatalyst under visible light irradiation
|
Kumar Palaniswamy, Vasantha
|
|
|
771 |
C |
p.
|
artikel
|
| 23 |
Enhanced photocatalytic performance of BaTiO3/g-C3N4 heterojunction for the degradation of organic pollutants
|
Kappadan, Shabina
|
|
|
771 |
C |
p.
|
artikel
|
| 24 |
Graphical abstract TOC
|
|
|
|
771 |
C |
p.
|
artikel
|
| 25 |
Graphical abstract TOC
|
|
|
|
771 |
C |
p.
|
artikel
|
| 26 |
Halogen bond interaction: Role of hybridization and induction
|
Nunzi, Francesca
|
|
|
771 |
C |
p.
|
artikel
|
| 27 |
Incoherent microwaves heating of water: A combined experimental and simulated investigation
|
Shi, Hongxiao
|
|
|
771 |
C |
p.
|
artikel
|
| 28 |
Influence of ligand and impurities on optical properties of carbon dots: Narrow linewidth and controllable UV-Vis spectrum
|
Xu, Shuhong
|
|
|
771 |
C |
p.
|
artikel
|
| 29 |
Inhibition of interferon-stimulated gene 15 and lysine 48-linked ubiquitin binding to the SARS-CoV-2 papain-like protease by small molecules: In silico studies
|
Pitsillou, Eleni
|
|
|
771 |
C |
p.
|
artikel
|
| 30 |
Insights into the mechanism of fatty acid photodecarboxylase: A theoretical investigation
|
Hong, Pan
|
|
|
771 |
C |
p.
|
artikel
|
| 31 |
In silico design of new nitrogen-rich melamine-based porous polyamides applied to CO2/N2 separation
|
Song, Danna
|
|
|
771 |
C |
p.
|
artikel
|
| 32 |
In silico studies on stilbenolignan analogues as SARS-CoV-2 Mpro inhibitors
|
Cetin, Adnan
|
|
|
771 |
C |
p.
|
artikel
|
| 33 |
Investigation on antibacterial and hemolytic properties of magnesium-doped hydroxyapatite nanocomposite
|
Jenifer, A.
|
|
|
771 |
C |
p.
|
artikel
|
| 34 |
Kagome phosphorene molecular device for sensing chloropicrin and phosgene – A first-principles study
|
Princy Maria, J.
|
|
|
771 |
C |
p.
|
artikel
|
| 35 |
Kinetics of three reactions involving the azide radical: H + HN3, thermal decomposition of N3, and N3 + HN3
|
Knyazev, Vadim D.
|
|
|
771 |
C |
p.
|
artikel
|
| 36 |
Luminescence properties of garnet Y2Mg2Al2Si2O12:Ce3+ phosphors
|
Wei, Zhen
|
|
|
771 |
C |
p.
|
artikel
|
| 37 |
Mass transfer from nanofluid single drops in low interfacial tension liquid–liquid extraction process
|
Li, BingQian
|
|
|
771 |
C |
p.
|
artikel
|
| 38 |
Molecular beam scattering experiments probing the interaction of Cl2 with simple molecules (D2, O2, D2O, ND3)
|
Cappelletti, David
|
|
|
771 |
C |
p.
|
artikel
|
| 39 |
Molecular dynamic simulation study on formation of water channel in oil film detachment process controlled by surfactant polarity
|
Zhou, Lixia
|
|
|
771 |
C |
p.
|
artikel
|
| 40 |
Molecular dynamics simulation of the partial oxidation of methane to produce acetylene
|
Chen, Xiang
|
|
|
771 |
C |
p.
|
artikel
|
| 41 |
Multi-color luminescence and energy transfer behavior of Ba3Lu4O9:Tb3+,Eu3+ phosphor for solid-state lighting
|
Wang, Ziyao
|
|
|
771 |
C |
p.
|
artikel
|
| 42 |
Multi-component gases competitive adsorption on residual coal under goaf conditions based on Monte Carlo simulation
|
Hao, Min
|
|
|
771 |
C |
p.
|
artikel
|
| 43 |
NO+ + H2: Potential energy surface and bound state calculations
|
Orek, Cahit
|
|
|
771 |
C |
p.
|
artikel
|
| 44 |
Optoelectronic properties of Rb-doped inorganic double perovskite Cs2AgBiBr6
|
Chen, Hong
|
|
|
771 |
C |
p.
|
artikel
|
| 45 |
Photocatalytic activity and antibacterial efficacy of titanium dioxide nanoparticles mediated by Myristica fragrans seed extract
|
Sagadevan, Suresh
|
|
|
771 |
C |
p.
|
artikel
|
| 46 |
Photocatalytic and antibacterial performance of iron oxide nanoparticles formed by the combustion method
|
Tharani, K.
|
|
|
771 |
C |
p.
|
artikel
|
| 47 |
Photoionization of methanol: a molecular source for the prebiotic chemistry
|
Catone, Daniele
|
|
|
771 |
C |
p.
|
artikel
|
| 48 |
Predicting the energetic stabilization of Janus-MoSSe/AlN heterostructures: A DFT study
|
dos Santos, Ramiro M.
|
|
|
771 |
C |
p.
|
artikel
|
| 49 |
Preparation and characterization of quantum dot doped polyaniline photoactive film for organic solar cell application
|
Shanmugasundaram, Esakkimuthu
|
|
|
771 |
C |
p.
|
artikel
|
| 50 |
Preparation of well-developed mesoporous activated carbon fibers from plant pulp fibers and its adsorption of methylene blue from solution
|
Liu, B.
|
|
|
771 |
C |
p.
|
artikel
|
| 51 |
Recycling of mining waste in the synthesis of magnetic nanomaterials for removal of nitrophenol and polycyclic aromatic hydrocarbons
|
Cruz, Daiane R.S.
|
|
|
771 |
C |
p.
|
artikel
|
| 52 |
Self-assembly of antimony sulfide nanowires on three-dimensional reduced GO with superior electrochemical lithium storage performances
|
Li, Zhuo
|
|
|
771 |
C |
p.
|
artikel
|
| 53 |
Silver decorated graphene nanocomposites toward electrochemical energy storage
|
Lu, Chao
|
|
|
771 |
C |
p.
|
artikel
|
| 54 |
Slippery liquid-infused porous surface based on MOFs with excellent stability
|
Fang, Xinzuo
|
|
|
771 |
C |
p.
|
artikel
|
| 55 |
Solvent extraction of lithium from hydrochloric acid leaching solution of high-alumina coal fly ash
|
Rui, Hongming
|
|
|
771 |
C |
p.
|
artikel
|
| 56 |
Strong bonding motif in model molecular clusters containing tetrel atoms
|
McDowell, Sean A.C.
|
|
|
771 |
C |
p.
|
artikel
|
| 57 |
Temperature dependence of the rate coefficient of formation of CN radical from C + NH
|
Garcia, Ernesto
|
|
|
771 |
C |
p.
|
artikel
|
| 58 |
Temperature-dependent kinetic study of the photo-oxidation reaction of vinyl butyrate with Cl atoms and fate of the formation of alkoxy radicals
|
Kaipara, Revathy
|
|
|
771 |
C |
p.
|
artikel
|
| 59 |
The effect of oxygen vacancy of alkaline-earth metal Sr doped Sm2Zr2O7 catalysts in the oxidative coupling of methane
|
Hao, Jie
|
|
|
771 |
C |
p.
|
artikel
|
| 60 |
The microstructure and properties of GO hydration layers and the effects on the adsorption of UO2 2+
|
Liu, Ning
|
|
|
771 |
C |
p.
|
artikel
|
| 61 |
Theoretical design of Salen–metal-based materials for highly selective separation of C2H2/C2H4
|
Lu, Naijia
|
|
|
771 |
C |
p.
|
artikel
|
| 62 |
Theoretical study of the reactions of nitrogen dioxide with hydrogen and methyl peroxides
|
Shi, Gai
|
|
|
771 |
C |
p.
|
artikel
|
| 63 |
Theoretical study on fluoroethylene carbonate as an additive for the electrolyte of lithium ion batteries
|
Han, Mengtong
|
|
|
771 |
C |
p.
|
artikel
|
| 64 |
Theoretical study on the two novel planar-type all-nitrogen N4 4− anions: Structures, stability, reaction rate and their stable mechanisms via protonation
|
Feng, Yifan
|
|
|
771 |
C |
p.
|
artikel
|
| 65 |
Thermally activated delayed fluorescent emitters based on 3-(phenylsulfonyl)pyridine
|
Wu, Ping
|
|
|
771 |
C |
p.
|
artikel
|
| 66 |
Thermally averaged photoassociation controlled by pure cubic pulse
|
Sun, Zhi-Xin
|
|
|
771 |
C |
p.
|
artikel
|
| 67 |
Thermodynamic stability in transition metal-containing dicationic diatomics: Examining the case of CrO2+
|
Gonçalves dos Santos, Levi
|
|
|
771 |
C |
p.
|
artikel
|
| 68 |
Threshold displacement energy of lattice atoms in yttrium ion garnet, an ab initio molecular dynamics study
|
Tan, ShiJie
|
|
|
771 |
C |
p.
|
artikel
|
| 69 |
Ultra dynamic water repellency and anti-icing performance of superhydrophobic ZnO surface on the printed circuit board (PCB)
|
Yin, Zuozhu
|
|
|
771 |
C |
p.
|
artikel
|
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