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RSC Adv., 2025, 15, 32271
DOI: 10.1039/D5RA04143K

Mechanistic insights into (3 + 2) cycloaddition of glutaraldehyde-N-Aryl nitrone with cinnamaldehyde: Electron density, docking, and molecular dynamics analysis

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Struct Chem, 2026
DOI: 10.1007/s11224-025-02698-x

Mechanistic Study of N‐t‐Butyl Nitrone and Nitroethene (3 + 2) Cycloaddition: A Combined DFT, Docking, and ADMET Approach

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Journal of Heterocyclic Chem, 2025, 62, 1328
DOI: 10.1002/jhet.70064

Mechanistic insights into furan-based Diels–Alder cycloadditions: an ELF, BET, NCI, AIM, and MEDT study

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Theor Chem Acc, 2026, 145
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Experimental and computational investigation of ortho/para azobenzaldehyde isomers: synthesis, DFT, molecular docking, and molecular dynamics insights

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Struct Chem, 2026
DOI: 10.1007/s11224-026-02778-6

Theoretical visualization of covalent and non-covalent interactions: molecular diversity and substituent effects governing the reactivity of Bulbophyllum bibenzyl derivatives

Fatiha Guenfoud, Oussama Khaoua and Noura Benbellat

Mol Divers, 2026
DOI: 10.1007/s11030-026-11595-2