With the aim of recognizing the steric effects on the silylenic R2C6H6Si structures, DFT calculationsare carried out on 8 structures of R2C6H6Si (where R is hydrogen (H), methyl (Me), isopropyl (i-pro),and tert-butyl (tert-Bu)). These species are at either triplet (t) or singlet (s) states. Singlet–tripletenergy separations ( Me (20.32) > t-Bu (15.92).all singlet states of R2C6H6Si, are more st...

Tetrazole-containing compounds have been the subject of much recent research because of theirpotential as high energy density materials (HEDMs). In this work, theoretical studies on the 1Htetrazolylderivatives of tetrahedrane were done at the density functional theory (DFT) method withthe 6-31G(d) basis set without any symmetrical restrictions in order to find the structural andenergetically pr...

Magnesium oxide nanotubes of finite length are investigated by the Density Functional Theory (DFT) at the B3LYP/6-31G (d) level. The (6, 0) zigzag and (4, 4) armchair of MgO nanotubes were considered and nuclear magnetic resonance properties including isotropic and anisotropic chemical shielding parameters (CSI and CSA) were calculated for 25Mg and 17O atoms of the optimiz...

The preparation of trans-dihydrofurans has been achieved by a one-pot condensation reaction of 4-bromophenacyl bromide, aromatic aldehydes and 5,5-dimethyl-1,3-cyclohexanedione using biosynthesized CuO nanoparticles under reflux conditions in ethanol. CuO nanoparticles (CuO NPs) were prepared using extractof leaves of Ajuga chamaecistus Subsp. Scoparia. The key advant...

The preparation of trans-dihydrofurans has been achieved by a one-pot condensation reaction of 4-bromophenacyl bromide, aromatic aldehydes and 5,5-dimethyl-1,3-cyclohexanedione using biosynthesized CuO nanoparticles under reflux conditions in ethanol. CuO nanoparticles (CuO NPs) were prepared using extractof leaves of Ajuga chamaecistus Subsp. Scoparia. The key advant...

This paper describes a method for the enhancement of curvilinear structures such as vessels and bronchi in three-dimensional (3-D) medical images. A 3-D line enhancement filter is developed with the aim of discriminating line structures from other structures and recovering line structures of various widths. The 3-D line filter is based on a combination of the eigenvalues of the 3-D Hessian matr...

Magnesium oxide nanotubes of finite length are investigated by the Density Functional Theory (DFT) at the B3LYP/6-31G (d) level. The (6, 0) zigzag and (4, 4) armchair of MgO nanotubes were considered and nuclear magnetic resonance properties including isotropic and anisotropic chemical shielding parameters (CSI and CSA) were calculated for 25Mg and 17O atoms of the optimiz...

Multilevel Inverters has big placement advantages in Power Electronics and its application can be mentioned to FACTS tools such as UPFC – D-STATCOM. Therefore, nowadays Multilevel Inverters have created vast field’s research and researchers are trying to present appropriate structures with fewer keys and greater advantages. The main advantages of Multilevel Inverters mentioned are low-key volta...