DFT and TD-DFT investigation of metal-decorated borazine as molecular sensors for acetohydrazide: Energetic, electronic, NBO, QTAIM, and NCI-RDG insights
- DOI
- 10.1016/j.jmgm.2026.109644
- Published
- 2027-01
- Container
- Journal of Molecular Graphics and Modelling
- Publisher
- Elsevier BV
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1016/j.jmgm.2026.109644,
title = {DFT and TD-DFT investigation of metal-decorated borazine as molecular sensors for acetohydrazide: Energetic, electronic, NBO, QTAIM, and NCI-RDG insights},
author = {Yassine Riadi and Mohammed H. Geesi and Abdulaziz Alanazi and Abdellah Zeroual and Rachid Azzallou},
year = {2027},
journal = {Journal of Molecular Graphics and Modelling},
doi = {10.1016/j.jmgm.2026.109644},
url = {https://doi.org/10.1016/j.jmgm.2026.109644}
}RIS
TY - JOUR TI - DFT and TD-DFT investigation of metal-decorated borazine as molecular sensors for acetohydrazide: Energetic, electronic, NBO, QTAIM, and NCI-RDG insights AU - Yassine Riadi AU - Mohammed H. Geesi AU - Abdulaziz Alanazi AU - Abdellah Zeroual AU - Rachid Azzallou PY - 2027 JO - Journal of Molecular Graphics and Modelling DO - 10.1016/j.jmgm.2026.109644 UR - https://doi.org/10.1016/j.jmgm.2026.109644 ER -
APA
Riadi, Y., Geesi, M. H., Alanazi, A., Zeroual, A., & Azzallou, R. (2027). DFT and TD-DFT investigation of metal-decorated borazine as molecular sensors for acetohydrazide: Energetic, electronic, NBO, QTAIM, and NCI-RDG insights. Journal of Molecular Graphics and Modelling. https://doi.org/10.1016/j.jmgm.2026.109644
Source records
- crossref · retrieved 2026-11-10T12:19:07.425Z