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Depicted simulation model for removal of second-generation antipsychotic drugs adsorbed on Zn-MOF: adsorption locator assessment
Context Electronic durable behavior on the material surface was accompanied by a class of
antipsychotic drugs (APD) to describe the surface modification in the designed adsorption …
antipsychotic drugs (APD) to describe the surface modification in the designed adsorption …
Photostabilization, thermodynamic and theoretical studies of polystyrene by some 2-amino pyridine
Polystyrene (PS) films are photostabilized by 2-amino pyridine derivative compounds.
Investigations were conducted on compounds of (ae). The casting method was used to …
Investigations were conducted on compounds of (ae). The casting method was used to …
Structural behavior and surface layer modification of (E)-N'-((1H-indol-3-yl) methylene)-4-chlorobenzohydrazide: Spectroscopic, DFT, biomedical activity and …
The synthesis of (E)-N'-((1H-indol-3-yl) methylene)-4-chlorobenzohydrazide (IMCBH)(A2)
was achieved by reacting indole-3-carboxyaldehyde with 4-chlorobenzohydrazide. Their …
was achieved by reacting indole-3-carboxyaldehyde with 4-chlorobenzohydrazide. Their …
Nanocluster-based computational creation of a potential carrier for chemotherapeutic antibacterial drugs
Elaboration of the adsorption behavior of antibacterial drugs, Folic acid, and Paclitaxel2, on
nanomaterials was studied to understand the electronic and structure properties for …
nanomaterials was studied to understand the electronic and structure properties for …
Comparative properties of ZnO modified Au/Fe nanocomposite: electronic, dynamic, and locator annealing investigation
Context A computational representation was used to model the do** and
nanomodification of ZnO nanoparticles incorporated in Au/Fe nanocomposite. Au/Fe …
nanomodification of ZnO nanoparticles incorporated in Au/Fe nanocomposite. Au/Fe …
Computational innovation of in situ metallic elements with zirconia as a novel possible carrier for chemotherapeutic medication
Context Electronic sustainable behavior on the material surface and in situ metal
configuration were accompted with some metal atoms like Li, Na, and K elements. Metal …
configuration were accompted with some metal atoms like Li, Na, and K elements. Metal …
Recent Perspective on Polymeric semimetal (Si, Ge and As) and nonmetal (N and P) doped C70-fullerene system: comparative electronic, dynamic behavior and …
Fullerene system, based on carbon atoms, was studied and its structural modification was
built with consideration of several elements such as Si, N, P, Ge, and As, where doped …
built with consideration of several elements such as Si, N, P, Ge, and As, where doped …
Structural and topological analysis of thiosemicarbazone-based metal complexes: computational and experimental study of bacterial biofilm inhibition and antioxidant …
The structural and electronic behavior of thiosemicarbazone (TSC)-based metal complexes
of Mn (II), Fe (II), and Ni (II) have been investigated. The synthesized metal complexes were …
of Mn (II), Fe (II), and Ni (II) have been investigated. The synthesized metal complexes were …
Adsorption Locator Behavior of Polycyclic-Carbon Based Systems: Computational Optical and Dynamic Properties
Polycyclic systems such as acenaphthylene, fluoranthene, benzo [k] fluoranthene, and
indeno [1, 2, 3-c, d] pyrene were studied and their adsorption behavior on carbon-based …
indeno [1, 2, 3-c, d] pyrene were studied and their adsorption behavior on carbon-based …
Design of graphene and nanotubes from aromatic compounds: a theoretical study
AA Lateef, HR Obayes - Journal of Molecular Modeling, 2022 - Springer
A group of aromatic compounds (benzene, naphthalene, anthracene, and tetracene) was
selected to design four sheets of graphene based on quantum mechanics calculations using …
selected to design four sheets of graphene based on quantum mechanics calculations using …