Noncovalent Interactions in N/O Heterocycles

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ORIGINAL RESEARCH

Accepted on 10 Nov 2025

Weak Noncovalent Interactions in 1,2,4-Triazole-3-Thione-Linked Adamantyl Derivatives: Experimental and Computational Insights into Their Potential as Antiproliferative Agents

Lamya H. Al-Wahaibi
Annesha Chakraborty
Hanan Hassan
Mohammed S. M. Abdelbaky
Santiago Garcia-Granda
Ali A. El-Emam
M. Judith Percino
Thamotharan Subbiah

ORIGINAL RESEARCH

Accepted on 20 Oct 2025

Synthesis, structural characterization, spectroscopic analyses, DFT-modeling, and RDG-NCI assessment of 4-dimethylaminopyridinium dihydrogen monophosphate

Lelfia Guelmami
Mondher Dhifet
Khadija Zaki
Norah Alwadai
Hammadi Khmissi
Mohamed Bouzidi
Gassoumi Bouzid
Mohammed BOUACHRINE

272 views

ORIGINAL RESEARCH

Published on 15 Sep 2025

Comprehensive synthesis and characterization of a novel Fe–porphyrin complex: crystal structure, spectroscopic investigations, Hirshfeld surface analysis, and computational modeling (DFT, QTAIM-NCI/ELF)

Mondher Dhifet
Lelfia Guelmami
Khadija Zaki
Imen Zghab
Abdelouahid Sbai
Bouzid Gassoumi

doi 10.3389/fchem.2025.1666671

2,876 views

ORIGINAL RESEARCH

Published on 14 Jul 2025

Synthesis, X-ray crystallography, spectroscopic characterizations, and density functional theory of the chloride-bound five-coordinate high-spin Iron(II) “Picket Fence” porphyrin complex

Feriel Salhi
Mondher Dhifet
Bouzid Gassoumi
Noureddine Issaoui
Habib Nasri

doi 10.3389/fchem.2025.1607585

2,431 views
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