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Liquid-phase exfoliation (LPE) of graphite towards graphene: An ab initio study
Liquid-phase exfoliation (LPE) of graphite towards graphene has been investigated
theoretically. In this study we have shown the sulfonic groups in a surfactant are most …
theoretically. In this study we have shown the sulfonic groups in a surfactant are most …
A New Generation of BnNn Rings as a Supplement to Boron Nitride Tubes and Cages
In B n N n cages or tubes, when the quasi-borazine rings are attached to each other through
a pair of common atoms of B and N, the bonding structure is named class A. On the other …
a pair of common atoms of B and N, the bonding structure is named class A. On the other …
Metal-doped graphene layers composed with boron nitride–graphene as an insulator: a nano-capacitor
A model of a nanoscale dielectric capacitor composed of a few dopants has been
investigated in this study. This capacitor includes metallic graphene layers which are …
investigated in this study. This capacitor includes metallic graphene layers which are …
Non bonded interaction between BnNn (stator) and BN (-, 0,+) B (rotor) systems: A quantum rotation in IR region
The electromagnetic non-bonded interactions of BN (-, 0,+) B molecule as a quantum rotor
inside several of B n N n molecular rings as a stator has been investigated by using EPR-II …
inside several of B n N n molecular rings as a stator has been investigated by using EPR-II …
Cell membrane causes the lipid bilayers to behave as variable capacitors: A resonance with self-induction of helical proteins
Cell membrane has a unique feature of storing biological energies in a physiologically
relevant environment. This study illustrates a capacitor model of biological cell membrane …
relevant environment. This study illustrates a capacitor model of biological cell membrane …
EPR Study of Electronic Structure of [CoF6]3−and B18N18 Nano Ring Field Effects on Octahedral Complex
Density functional theory calculations (DFT), as well as hybrid methods (B3LYP) for B 18 N
18-[CoF 6] 3− complex have been carried out to study the non-bonded interaction. The …
18-[CoF 6] 3− complex have been carried out to study the non-bonded interaction. The …
Application of DFT and TD-DFT on Langmuir Adsorption of Nitrogen and Sulfur Heterocycle Dopants on an Aluminum Surface Decorated with Magnesium and Silicon
In this study, we investigated the abilities of nitrogen and sulfur heterocyclic carbenes of
benzotriazole, 2-mercaptobenzothiazole, 8-hydroxyquinoline, and 3-amino-1, 2, 4-triazole-5 …
benzotriazole, 2-mercaptobenzothiazole, 8-hydroxyquinoline, and 3-amino-1, 2, 4-triazole-5 …
[PDF][PDF] An overview on lambda, epsilon, kappa, iota and zeta variants of covid-19 and its probability to merge with delta & delta plus, why it is a concern
COVID-19 is caused by the virus SARS-CoV-2 that belongs to the Corona groups. The
subgroups of the coronavirus families are α, β, γ, and δ coronavirus. On June 15, 2021, the …
subgroups of the coronavirus families are α, β, γ, and δ coronavirus. On June 15, 2021, the …
Non-covalent attraction of B2N(−,0) and repulsion of B2N(+) in the B n N n ring: a quantum rotatory due to an external field
The three radical, anion and cation forms of B 2 N (−, 0,+) have been studied inside the B 12
N 12 ring and compared with one another in terms of non-covalent interaction. Not only does …
N 12 ring and compared with one another in terms of non-covalent interaction. Not only does …
S-NICS: An aromaticity criterion for nano molecules
There are no theoretical or mathematical reports of a statistical approach in NMR shielding
and nucleus independent chemical shifts, while the asymmetry (η) and skew (κ) parameters …
and nucleus independent chemical shifts, while the asymmetry (η) and skew (κ) parameters …