Investigating the X-aminopyridine (X = 2 and 3) molecules sensing by Al<sub>12</sub>N<sub>12</sub> and B<sub>12</sub>N<sub>12</sub> fullerene-like nanocages: DFT, QTAIM, RDG and TD-DFT insights-Reference-Cited by-同舟云学术

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Investigating the X-aminopyridine (X = 2 and 3) molecules sensing by Al₁₂N₁₂ and B₁₂N₁₂ fullerene-like nanocages: DFT, QTAIM, RDG and TD-DFT insights

Published:2022-11-15 Issue: Volume: Page:1-11
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Tamafo Fouégué Aymard Didier¹,Tendongmo Hilaire²,Sakué Ngankam Eric³,Abdoul Ntieche Rahman¹

Affiliation:

1. Department of Chemistry, Higher Teacher Training College Bertoua, The University of Bertoua, Bertoua, Cameroon

2. Department of Chemistry, Faculty of Science, University of Dschang, Dschang, Cameroon

3. Department of Chemistry, Faculty of Science, The University of Maroua, Maroua, Cameroon

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2146199

Reference42 articles.

1. Electrons in artificial atoms

2. Characterisation and determination of fullerenes: A critical review

3. First-Principles Study of NO2Adsorption on C20Fullerene

4. Bader, R. F. W. (1990). Atoms in molecules: A quantum theory (pp. 1–90). Oxford University Press.

5. Gold nanoparticles in nanomedicine: preparations, imaging, diagnostics, therapies and toxicity

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1. A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages;Computational and Theoretical Chemistry;2024-10

2. H2O2 decomposition on X12Y12 (X = B, Al, Ga and Y = N, P) nanocage catalysts: a density functional theory study;Reaction Kinetics, Mechanisms and Catalysis;2024-04-19

3. 3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity;Journal of Biomolecular Structure and Dynamics;2023-05-25

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