Theoretical studies on the structures, properties, and aromaticities of fluorinated arsabenzenes

Ghiasi, Reza; Monajjemi, Majid; Mokarram, E. E.; Makkipour, P

doi:10.1007/s10947-008-0083-7

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2015

2022

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“…The lids consist of hexagonal crystalline structures (six-membered ring structures) and a total of six pentagonal structures (five-membered ring structures) placed here and there in the hexagonal structure [86][87][88][89][90][91][92][93][94][95][96][97][98][99] . The first report by Iijima was on the multiwall form, coaxial carbon cylinders with a few tens of nanometers in outer diameter.…”

Section: Introductionmentioning

confidence: 99%

Nano Particles @ Calix Arenas Via Aqueous Solution

Dehghani¹

2015

Orient. J. Chem

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The electronic structure and magnetic properties of Al 2 O 3 , GaN and Fe 3 O 4 @ Calix (8) COOH have been studied using ONIOM and DFT methods. The studies focus on how to improve the adsorption of some nano particles solution aqueous for achieving good magnetic and functionalized potential performances. The results revealed that the Fe3O4@ Calix (8) COOH and some of its derivations exhibited better thermodynamic stability. Furthermore, the particle size and magnetic property of the GaN@ Calix (8) COOH nanoparticles can be controlled by the aqueous. The electrical properties such as NMR Shielding, electron densities, energy densities, potential energy densities, ELF, LOL, ellipticity of electron density, eta index and ECP for nanoparticles@ Calix (8)COOH have been calculated.

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