NBO analysis and density functional theory (DFT: B3LYP/6-311+G**) based method were used to study the impacts of the anomeric effects (AE) on the conformational properties of 2-methoxy-1,2,4,5-tetrahydro-benzo[d]oxepine (1), -thiepine (2) and -selenepine (3). The Gibbs free energy difference (Geq–Gax) values (i.e. ΔGeq-ax) at 298.15 K and 1 atm between the axial and equatorial conformations inc...

hybrid-density functional theory (b3lyp/def2-tzvpp) based method and nbointerpretation were used to investigate the conformational behavior of 1,2-dihalodisilanes[halo=f (1), cl (2), br (3), i (4)]. the b3lyp/def2-tzvpp results showed that the anticonformations of compounds 1-4 are more stable than their corresponding gaucheconformations. the stability of the anti conformation compared to the g...

In imaging applications, such as security or biomedical imaging, increasing the number of dimensions of acquirable optical signals could help identify and classify objects in the image. However, conventional approaches to gain additional information, such as depth or spectral data, with a 2D image sensor, sacrifice spatial or temporal resolution. We have developed two promising approaches using...

elastomer compound based on nr/br was prepared using different kinds of nano-zno and zno. the effect of zinc oxide as an activator of sulfur cure on the mechanical and morphological properties of the compound was studied. the result of the mechanical properties showed that the tensile strength, elongation-at-break, resilience, and abrasion resistance of the compound prepared by zno (4 phr) are ...

The present study investigated comparatively the impact of two types of input enhancement (i.e. textual vs. compound enhancement) on developing grammar ability in Iranian EFL setting. Sixty-five female secondary high school students were selected as a homogenous sample out of about a 100-member population based on Nelson language proficiency test. Then, their grammar ability was measured based ...