| 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 |
| On the molecular structure, vibrational spectra, HOMO-LUMO, molecular electrostatic potential, UV–Vis, first order hyperpolarizability, and thermodynamic investigations of 3-(4 … R Rahmani, N Boukabcha, A Chouaih, F Hamzaoui, S Goumri-Said Journal of Molecular Structure 1155, 484-495, 2018 | 88 | 2018 |
| Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N'-(2, 4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide N Boukabcha, A Djafri, Y Megrouss, Ö Tamer, D Avcı, M Tuna, N Dege, ... Journal of Molecular Structure 1194, 112-123, 2019 | 60 | 2019 |
| Molecular structure, experimental and theoretical vibrational spectroscopy,(HOMO-LUMO, NBO) investigation,(RDG, AIM) analysis,(MEP, NLO) study and molecular docking of ethyl-2 … M Saidj, A Djafri, R Rahmani, NEH Belkafouf, N Boukabcha, A Djafri, ... Polycyclic Aromatic Compounds 43 (3), 2152-2176, 2023 | 53 | 2023 |
| Spectral investigation, TD-DFT study, Hirshfeld surface analysis, NCI-RDG, HOMO-LUMO, chemical reactivity and NLO properties of 1-(4-fluorobenzyl)-5-bromolindolin-2, 3‑dione N Boukabcha, A Benmohammed, MHM Belhachemi, M Goudjil, ... Journal of Molecular Structure 1285, 135492, 2023 | 52 | 2023 |
| 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 | 26 | 2022 |
| Spectroscopic (FT-IR, 1H and 13C NMR) characterization and density functional theory calculations for (Z)-5-(4-nitrobenzyliden)-3-N (2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one … K Toubal, N Boukabcha, Ö Tamer, N Benhalima, S Altürk, D Avcı, ... Journal of Molecular Structure 1147, 569-581, 2017 | 25 | 2017 |
| Synthesis, X-ray structure determination and related physical properties of thiazolidinone derivative by DFT quantum chemical method Y Megrouss, FT Baara, N Boukabcha, A Chouaih, A Hatzidimitriou, ... Acta Chim. Slov 66 (2), 490-500, 2019 | 23 | 2019 |
| Synthesis and evaluation of new isatin-aminorhodanine hybrids as PIM1 and CLK1 kinase inhibitors K Khaldoun, A Safer, N Boukabcha, N Dege, S Ruchaud, M Souab, ... Journal of Molecular Structure 1192, 82-90, 2019 | 21 | 2019 |
| 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 |
| Solvent effects on molecular structure, vibrational frequencies, and NLO properties of N-(2, 3-dichlorophenyl)-2-nitrobenzene–sulfonamide: a density functional theory study N Benhalima, N Boukabcha, Ö Tamer, A Chouaih, D Avcı, Y Atalay, ... Brazilian Journal of Physics 46, 371-383, 2016 | 18 | 2016 |
| Theoretical investigation of electrostatic potential and non linear optical properties of M–nitroacetanilide N Boukabcha, N Benhalima, R Rahmani, A Chouaih, F Hamzaoui Rasayan Journal of Chemistry 8 (4), 509-516, 2015 | 17 | 2015 |
| Conformational, spectroscopic and nonlinear optical investigations on 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one: a DFT study S Altürk, N Boukabcha, N Benhalima, Ö Tamer, A Chouaih, D Avcı, ... Indian Journal of Physics 91, 501-511, 2017 | 15 | 2017 |
| Synthesis, crystallographic and spectroscopic investigation, chemical reactivity, hyperpolarizabilities and in silico molecular docking study of (Z)-2N-(tert‑butylimino)-3N’-(4 … FZ Boudjenane, F Triki-Baara, N Boukabcha, NEH Belkafouf, N Dege, ... Journal of Molecular Structure 1287, 135620, 2023 | 14 | 2023 |
| Synthesis, structural determination, molecular docking and biological activity of 1-(4-fluorobenzyl)-5-bromolindolin-2, 3-dione MHM Belhachemi, A Benmohammed, H Saiah, N Boukabcha, M Saidj, ... Journal of Molecular Structure 1265, 133342, 2022 | 14 | 2022 |
| Molecular structure, multipolar charge density study and nonlinear optical properties of 4-methyl-N-[(5-nitrothiophen-2-ylmethylidene)] aniline N Boukabcha, A Feddag, R Rahmani, A Chouaih, F Hamzaoui Journal of Optoelectronics and Advanced Materials 20 (March-April 2018), 140-148, 2018 | 14 | 2018 |
| 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 | 12 | 2024 |
| Synthesis, crystal structure, Hirshfeld surface, energy framework, NCI-RDG, theoretical calculations and molecular docking of (Z) 4, 4′-bis [-3-N-ethyl-2-N'-(phenylimino … ZD Benyahlou, FT Baara, S Yahiaoui, Y Megrouss, N Boukabcha, A Djafri, ... Journal of Molecular Structure 1277, 134781, 2023 | 12 | 2023 |
| 2-thioxo-3N-(2-ethoxyphenyl)-5 [4′-methyl-3′ N-(2′-ethoxyphenyl) thiazol-2′(3′ H)-ylidene] thiazolidin-4-one: Growth, spectroscopic behavior, single-crystal investigation … N Khelloul, K Toubal, N Boukabcha, N Dege, A Djafri, NEH Belkafouf, ... Phosphorus, Sulfur, and Silicon and the Related Elements 198 (3), 199-214, 2023 | 10 | 2023 |