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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 19
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Research Article

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

Aymard Didier Tamafo Fouéguéa Department of Chemistry, Higher Teacher Training College Bertoua, The University of Bertoua, Bertoua, CameroonCorrespondence[email protected]
,
Hilaire Tendongmob Department of Chemistry, Faculty of Science, University of Dschang, Dschang, Cameroon
,
Eric Sakué Ngankamc Department of Chemistry, Faculty of Science, The University of Maroua, Maroua, Cameroon
&
Rahman Abdoul Ntiechea Department of Chemistry, Higher Teacher Training College Bertoua, The University of Bertoua, Bertoua, Cameroon
Pages 9721-9731 | Received 09 Aug 2022, Accepted 05 Nov 2022, Published online: 15 Nov 2022

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Reda El-Mernissi, Ayoub Khaldan, Soukaina Bouamrane, Hafiz Muzzammel Rehman, Marwa Alaqarbeh, Mohammed Aziz Ajana, Tahar Lakhlifi & Mohammed Bouachrine. (2024) 3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity. Journal of Biomolecular Structure and Dynamics 42:7, pages 3682-3699.
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Xin Lian, Wenhong Zeng, Xinlin Tang, Haiyue Liao, Wenlong Guo, Yunhuai Zhang & Guangyong Gao. (2024) H2O2 decomposition on X12Y12 (X = B, Al, Ga and Y = N, P) nanocage catalysts: a density functional theory study. Reaction Kinetics, Mechanisms and Catalysis.
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