| Synthesis, crystal structure, vibrational spectral investigation, intermolecular interactions, chemical reactivity, NLO properties and molecular docking analysis on (E)-N-(4 … AR Guerroudj, N Boukabcha, A Benmohammed, N Dege, NEH Belkafouf, ... Journal of Molecular Structure 1240, 130589, 2021 | 89 | 2021 |
| Microwave assisted synthesis, vibrational spectra, Hirshfeld surface and interaction energy, DFT, topology, in silico ADMET and molecular docking studies of 1, 2-bis (4 … R Subramaniyan, R Ramarajan, A Ramalingam, S Sambandam, ... Journal of Molecular Structure 1278, 134946, 2023 | 31 | 2023 |
| Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2, 6-bis (4-fluorophenyl) piperidin-4-one: a potent … A Ramalingam, AR Guerroudj, S Sambandam, A Kumar, ... Journal of Molecular Structure 1269, 133845, 2022 | 27 | 2022 |
| Experimental and theoretical spectroscopic characterization, Hirshfield surface analysis, TD-DFT calculation, and nonlinear optical properties of (E)-1-[(2, 4, 6tribromophenyl … A Mansour, C Souheyla, M Youcef, B Nourdine, D Amel, GA Roufieda, ... Journal of Molecular Structure 1261, 132887, 2022 | 18 | 2022 |
| Exploring pyrimidine-based azo dyes: vibrational spectroscopic assignments, TD-DFT investigation, chemical reactivity, HOMO-LUMO, ELF, LOL and NCI-RDG analysis AR Guerroudj, EU Mughal, N Naeem, A Sadiq, JH Al-Fahemi, BH Asghar, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 313, 124093, 2024 | 13 | 2024 |
| Synthesis, crystal structure, DFT calculations, NBO, Fukui function, NCI-RDG, Hirshfeld surface analysis, NLO properties and molecular docking analysis on (E)-N'-(3 … A Chebli, A Djafri, N Boukabcha, Y Megrouss, M Drissi, MHM Belhachemi, ... Journal of Molecular Structure 1310, 138287, 2024 | 8 | 2024 |
| Conformation and vibrational spectroscopic analysis of 2, 6-bis (4-fluorophenyl)-3, 3-dimethylpiperidin-4-one (BFDP) by DFT method: A potent anti-Parkinson’s, anti-lung cancer … T Arumugam, A Ramalingam, AR Guerroudj, S Sambandam, ... Heliyon 9 (11), 2023 | 8 | 2023 |
| Experimental and theoretical spectroscopic characterization, Hirshfield surface analysis, TD-DFT calculation, and nonlinear optical properties of (E)-1-[(2, 4, 6tribromophenyl … M Azayez, S Chetioui, Y Megrouss, N Boukabcha, A Djedouani, ... J. Mol. Struct. 1261, 132887, 2022 | 5 | 2022 |
| Synthesis, SC-XRD structure, spectroscopy, intermolecular interactions, DFT/TD-DFT investigation, and (static, dynamic) NLO properties of (2E, 5Z)-3-(4-fluorophenyl)-2-(4 … N Kheddam, A Djafri, Y Megrouss, R Rahmani, AR Guerroudj, ... Journal of Molecular Structure 1298, 136967, 2024 | 4 | 2024 |
| Insight into (Z)-ethyl-2-(2-((E)-2, 4-dinitro benzylidene amino)-4-oxo-3-phenylthiazolidin-5-ylidene) acetate in-silico anti-SARS-CoV-2 performance: Synthesis, structural … A Benmohammed, M Saidj, A Djafri, AR Guerroudj, AO Rabah, M Goudjil, ... Journal of Molecular Structure 1295, 136696, 2024 | 4 | 2024 |
| Investigation of photophysical and electronic properties of aurone derivatives: Insights from spectroscopic techniques and density functional theory calculations EU Mughal, AR Guerroudj, E Bozkurt, N Naeem, A Sadiq, JH Al-Fahemi, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 302, 123130, 2023 | 4 | 2023 |
| Synthesis, structure, spectra, NLO behavior, and in-silico study on anti-tumor and anti-tuberculosis efficacy of (Z)-3-((Z)-3-phenylallylidene) benzo [4, 5] imidazo [1, 2-c … R Rahmani, A Djafri, H Khaldi, Y Megrouss, AR Guerroudj, N Dege, ... Journal of Molecular Structure 1320, 139661, 2025 | 2 | 2025 |
| Synthesis, structural analysis, and molecular docking of a novel 1, 3, 4-thiadiazole derivative: An experimental and molecular modeling studies M Mostefai, A Benmohammed, N Benhalima, N Dege, R Rahmani, ... Journal of Molecular Structure 1319, 139308, 2025 | 1 | 2025 |
| Analyse spectroscopique et structurale de nouveaux composés organiques à transfert de charge D Abderrahmane Université de Mostaganem, 2023 | | 2023 |
| X-ray and DFT Calculation of Organic Compound 8-{1-[3-(Cyclopent-1-en-1-yl) Benzyl] Piperidin-4-yl}-2-Methoxyquinoline a Non-Linear Optical Property AR Guerroudj, N Boukabcha, M Saidj, A Chouaih ICREATA’21, 140, 0 | | |
