Dependence of reactivity of organic molecules on substituents was a well-established phenomenon in terms of Hammett and Taft equations in physical-organic chemistry. The well-known Hammett and Taft linear free energy ...

In this paper, magnetic nanocomposites were synthesized by embedding ferric oxide nanoparticles into carboxymethyl cellulose (CMC) using co-precipitation method. The properties of the synthesized nanocomposites in the ...

Determination of proline is of great importance and investigating the interaction of this amino acid with nanostructures play a key role in the construction of novel appropriate sensors for proline measurement. In this ...

In this paper, the DFT methods were applied at the M06-2X/6–311++G(d,p) levels of theory to investigate the β-hydrogen elimination in the (C2X5)2B(C2H5); X=H, ...

The novel bio-based additives in the present research were incorporated into LDPE, LDPE in about 5 wt% subsequently processed to produce films of 50μ thickness. The bio-based additive such as acrylic ...

In this study, the adsorption of tetryl on the surface of boron nitride cage was evaluated by density functional theory. For this purpose, the structures of tetryl, B12N12, and the tetryl-B12

The present research exploration will contain studying the molecular structure, bonds nature, stability, reactivity and electronic properties of the title molecule.The molecular optimization and all theoretical ...

In this study, Zn-substituted cobalt ferrite nanoparticles (CoFe1.9Zn0.1O4, CFZ) were successfully synthesized via a combined EDTA-citrate sol-gel process. The synthesized ...

In this paper, nano-sized of two mercury(II) complexes with the general formula of HgLX2 (X=Br (1) and I (2)), L=N,N¢-bis{( ...