Using nonequilibrium Green's function formalism combined first-principles density functional theory, we analyze the transport properties of a 4,4-dimethyl-6-(4-nitrophenyl)-2-phenyl-3,5-diaza-bicyclo[3.1.0]hex-2-ene molecular ...

With the getting smaller of traditional electron devices and the advancement of nanotechnology and microfabrication, using molecules as components in atomic-scale circuits has become an attractive field and nanomaterials ...

The Schiff base compound (E)-1-(4-(4-(diethylamino)-2-hydroxybenzylideneamino)phenyl)ethanone

has been synthesized and characterized by IR, UV–Vis, and 1H and 13C NMR techniques. These properties of title compound ...

The present study aimed to determine an efficient and solvent-free method to synthesize 2-methyl-4-quinolinol (2MQ, also known as 4-hydroxy-2- methylquinoline) and includes spectroscopic investigations and computational ...

Abstract

The experimental and theoretical studies on asymmetrical Schiff base, salicylideneimino-ethylimino-pentan-2-one (SEIPO) were studied. The tautomerism of SEIPO was also studied by calculations using density ...

4-((9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy)-3-methoxybenzaldehyde has been synthesized in an attempt to obtain a new photochromic compound. The optimized molecular structure, mole fractions of title compound in trans ...