the structures and stability of 531 novel boron nitride substituted isomers of 12-crown-4 etherverified theoretically. for a collection of 23 selected bn isomers, structural geometry, vibrationalstability, energy gaps, natural bond population analysis, and nonlinear optical responses investigatedtheoretically. the changes of standard enthalpies for ionization reactions and electron affinityreac...

Cancer detection in early stage using a powerful and noninvasive tool is of high global interest. In this experiment, a small-molecular-weight glucose based derivative of Gd3+-1-(4-isothiocyanatobenzyl) diethylene tri amine penta acetic acid (Gd3+-p-SCN-Bn‐DTPA‐DG) as a novel potential MR imaging contrast agents was synthesized. Gd3+-p-SCN-Bn‐DTPA‐DG was synthesized with reacting of Glucosamine...

stabilizations and atomic level quadrupole coupling constant (cq) properties have been investigated for graphene–like monolayers (g–monolayers) of boron nitride (bn), boron phosphide (bp), aluminum nitride (aln), and aluminum phosphide (alp) structures. to this aim, density functional theory (dft) calculations have been performed to optimize the model structures and also to evaluate the cq para...

density functional theory ,(dft) calculations have been performed to investigate the properties ofcarbon decorated (c-decorated) models of boron nitride (bn) nanocones. to this aim, the apex andtip of nanocone have been substituted by the carbon atoms to represent the c-decorated models. theresults indicated that dipole moments and energy gaps could reveal the effects of c-decorations onthe pro...

In this paper, we are concerned with the classification problem of proper holomorphic maps between balls in complex spaces. Write Bn = {z ∈ Cn : |z| < 1} and Prop(Bn,BN ) for the collection of all proper holomorphic maps from Bn into BN . We recall that f, g ∈ Prop(Bn,BN ) are said to be equivalent if there are elements σ ∈ Aut(Bn) and τ ∈ Aut (BN ) such that f = τ ◦ g ◦ σ . It is a well-known ...

Stabilizations and atomic level quadrupole coupling constant (CQ) properties have been investigated for graphene–like monolayers (G–monolayers) of boron nitride (BN), boron phosphide (BP), aluminum nitride (AlN), and aluminum phosphide (AlP) structures. To this aim, density functional theory (DFT) calculations have been performed to optimize the model structures and also to evaluate the CQ para...

Density functional theory ,(DFT) calculations have been performed to investigate the properties ofcarbon decorated (C-decorated) models of boron nitride (BN) nanocones. To this aim, the apex andtip of nanocone have been substituted by the carbon atoms to represent the C-decorated models. Theresults indicated that dipole moments and energy gaps could reveal the effects of C-decorations onthe pro...