ZnO thin films were deposited on Si(400) substrates by e-beam evaporation technique, and then post-annealed at different annealing temperatures (200-800°C). Dependence of the crystallographic structure, nano-strain, chemical composition and surface physical Morphology of these layers on annealing temperature were studied. The crystallographic structure of films was studied using X-Ray Diffracti...

influence of aluminum, gallium, indium- doping on the boron-nitride nanotubes (bnnts) investigated with density functional theory (dft) and hartreefock (hf) methods. for this purpose, the chemical shift of difference atomic nucleus was studied using the gauge included atomic orbital (giao) approch. in the following, structural parameter values, electrostatic potential, thermodynamic parameters,...

a flavonol, kaempferol, isolated from the fresh flower petals of c. sativus l. (iridaceae) as the sole component. the structure of the compound was determined by chemical and spectroscopic methods.

the ir and nmr spectra were coupled with quantum chemical calculations in dft approach usingthe hybrid b3lyp exchange-correlation functional to confirm the structure of 2-methoxycarbonyl-7-methyl-1,3-thiazino[3,2-b][1,2,4]triazine-4,8-dione 2d.

Polycyclic Aromatic Hydrocarbon (PAH) plays an important role in the formation of combustion-generatedparticles such as soot, and their presence in atmosphere aerosols has been widely shown. The formation of five-membered rings, detected in combustion effluent, is of great interest due to their genotoxic activity.The present study reports an investigation of the electronic structure of Acenapht...

EDITORIAL article Front. Chem., 26 September 2023Sec. Supramolecular Chemistry Volume 11 - 2023 | https://doi.org/10.3389/fchem.2023.1293697