Two series of compounds: N-(4-substituted benzylidene) anilines (1) and N-(4-substituted benzylidene) cyclohexylamines (2) were synthesized. Their ¹³C NMR and ¹H NMR chemical shifts and their UV absorption spectra were obtained. Compounds (1) and (2)...

The absorption spectra of adenine, fumaric acid, and their cocrystal were measured using terahertz time-domain spectroscopy (THz-TDS) at room temperature. Experimental results show that they all have distinct fingerprint spectra in the terahertz regi...

2,5-Diferrocenyl-1-(3-trifluorom-ethylphenyl)-pyrrole (1), 2,5-diferrocenyl-1-(4-fluorophenyl)-pyrrole (2), 2,5-diferrocenyl-1-phenyl pyrrole (3), 2,5-diferro-cenyl-1-(4-ethylphenyl)-pyrrole (4), and 2,5-diferrocenyl- 1-(4-ethoxyphenyl)-pyrrole (5) w...

The second-order nonlinear optical (NLO) properties of bis-cyclometalated iridium(Ⅲ) isocyanide complexes were investigated by density functional theory (DFT). In this work, the geometries of the complexes were optimized using the B3PW91(UB3PW91) fun...

The influence of the substitution of Al for Si on the structural stability and mechanical properties of D8₈-Ti₅Si₃ was determined using first-principles pseudopotential plane-wave methods based on density functional theory. Several parameters includi...

The processes involved in the separation of gaseous CH₄/CO₂ mixtures using a nanoporous graphene membrane were simulated using a molecular dynamics method, and the effects of three functional modifications (i.e., N/H, all H, and N/―CH₃ modifications)...

A zirconium nanocrystalline coating has been fabricated on a Ti-6A1-4V alloy bipolar plates using a double cathode glow discharge technique to improve the corrosion resistance and reduce the interfacial contact resistance in polymer electrolyte membr...

A Pt/TiO₂ nanofiber catalyst has been prepared through the combination of an electrospinning technique with a reductive impregnation method. The compositions, morphologies and structures of the samples were characterized by X-ray diffraction (XRD), s...

A La₂CoNiO₆ inorganic nanofiber supercapacitor electrode material was successfully prepared from a polyvinylpyrrolidone/lanthanum nitrate-cobalt acetate-nickel acetate (PVP/LCN) precursor by electrostatic spinning. Its surface morphology and structur...

SSZ-13 molecular sieves were synthesized in situ on the surface of a honeycomb-shaped cordierite support using a hydrothermal method, and the resulting material was characterized by X-ray diffraction (XRD) and field emission scanning electron microsc...

α-MnO₂, β-MnO₂, γ-MnO₂, and δ-MnO₂ catalysts were synthesized by hydrothermal methods, and their catalytic performances towards the oxidation of ethanol were evaluated in detail. The as-synthesized MnO₂ catalysts were characterized by N₂ adsorption- ...

Core/shell nanostructured monolithic TiO₂/SiO₂ composite aerogels were prepared by the anilineacetone in situ water formation sol-gel method. Titanium(IV) n-butoxide was used as a precursor followed by supercritical modification with partially hydrol...

The aim of this work was to compare the structural characteristics of the FlgM protein from the thermophile aquifex aeolicus at room temperature (293 K) and at the physiological temperature (358 K) using molecular dynamics simulations. Two independen...