| Structural, optical and nonlinear optical properties and TD-DFT analysis of heteroleptic bis-cyclometalated iridium (III) complex containing 2-phenylpyridine and picolinate ligands D Hadji, H Brahim Theoretical Chemistry Accounts 137, 1-10, 2018 | 43 | 2018 |
| Structural and spectroscopic properties of Ir (III) complexes with phenylpyridine ligands: Absorption spectra without and with spin–orbit-coupling H Brahim, C Daniel Computational and Theoretical Chemistry 1040, 219-229, 2014 | 35 | 2014 |
| Effects of C (2) methylation on thermal behavior and interionic interactions in imidazolium-based ionic liquids with highly symmetric anions B Haddad, J Kiefer, H Brahim, E Belarbi, D Villemin, S Bresson, O Abbas, ... Applied Sciences 8 (7), 1043, 2018 | 26 | 2018 |
| Spin–orbit absorption spectroscopy of transition metal hydrides: A TD‐DFT and MS‐CASPT2 study of HM (CO) 5 (M= Mn, Re) H Brahim, C Daniel, A Rahmouni International Journal of Quantum Chemistry 112 (9), 2085-2097, 2012 | 25 | 2012 |
| Interactions in inclusion complex of β-cyclodextrin/l-Metheonine: DFT computational studies M Nora, L Ismahan, G Abdelkrim, C Mouna, N Leila, M Fatiha, B Nada, ... Journal of Inclusion Phenomena and Macrocyclic Chemistry 96, 43-54, 2020 | 24 | 2020 |
| Investigation of intermolecular interactions in inclusion complexes of pyroquilon with cucurbit [n] urils (n= 7, 8) using DFT-D3 correction dispersion D Imane, N Leila, M Fatiha, G Abdelkrim, C Mouna, L Ismahan, ... Journal of Molecular Liquids 309, 113233, 2020 | 23 | 2020 |
| Molecular modeling study of structures, Hirschfield surface, NBO, AIM, RDG, IGM and 1HNMR of thymoquinone/hydroxypropyl-β-cyclodextrin inclusion complex from QM calculations K Rayene, D Imane, B Abdelaziz, N Leila, M Fatiha, G Abdelkrim, ... Journal of Molecular Structure 1249, 131565, 2022 | 22 | 2022 |
| Theoretical study of geometric, optical, nonlinear optical, UV–Vis spectra and phosphorescence properties of iridium (III) complexes based on 5-nitro-2-(2′, 4′-difluorophenyl … M Boukabene, H Brahim, D Hadji, A Guendouzi Theoretical Chemistry Accounts 139 (3), 47, 2020 | 22 | 2020 |
| Computational study of inclusion complex of l-Glutamine/beta-Cycldextrin: Electronic and intermolecular interactions investigations L Ismahan, N Leila, M Fatiha, G Abdelkrim, C Mouna, B Nada, H Brahim Journal of Molecular Structure 1206, 127740, 2020 | 21 | 2020 |
| DFT/TDDFT computational study of the structural, electronic and optical properties of rhodium (III) and iridium (III) complexes based on tris-picolinate bidentate ligands H Brahim, B Haddad, S Brahim, A Guendouzi Journal of Molecular Modeling 23, 1-11, 2017 | 16 | 2017 |
| Structure, electronic properties, and NBO and TD-DFT analyses of nickel (II), zinc (II), and palladium (II) complexes based on Schiff-base ligands A Guelai, H Brahim, A Guendouzi, M Boumediene, S Brahim Journal of molecular modeling 24, 1-12, 2018 | 15 | 2018 |
| Quantitative conformational stability host-guest complex of Carvacrol and Thymol with β-cyclodextrin: a theoretical investigation A Guendouzi, SM Mekelleche, H Brahim, K Litim Journal of Inclusion Phenomena and Macrocyclic Chemistry 89, 143-155, 2017 | 14 | 2017 |
| DFT/TD-DFT investigation on the UV–vis absorption and phosphorescence spectra of platinum (II) and palladium (II) complexes with Schiff-base ligands H Brahim Journal of Luminescence 210, 96-103, 2019 | 12 | 2019 |
| A quantum chemical study of encapsulation and stabilization of gallic acid in β-cyclodextrin as a drug delivery system O Guendouzi, A Guendouzi, HB Ouici, H Brahim, M Boumediene, ... Canadian Journal of Chemistry 98 (4), 204-214, 2020 | 10 | 2020 |
| Theoretical study of geometric structures and electronic absorption spectra of Iridium (III) complexes based on 2-phenyl-5-nitropyridyl with different ancillary ligands H Brahim, B Haddad, M Boukabene, S Brahim, B Ariche Computational and Theoretical Chemistry 1101, 8-19, 2017 | 10 | 2017 |
| Linear and nonlinear optical properties of anhydride derivatives: a theoretical investigation Y Bekki, D Hadji, A Guendouzi, B Houari, M Elkeurti Chemical Data Collections 37, 100809, 2022 | 9 | 2022 |
| Theoretical investigation of inclusion complex of 2-methyl mercapto phenothiazine with hydroxy propyl β-cyclodextrin by DFT approaches Y Mezari, L Nouar, F Madi, A Guendouzi, I Djellala, I Lafifi, R Merdes, ... Chem. Comm 53, 196-210, 2021 | 7 | 2021 |
| Theoretical investigation on green emitting heteroleptic cyclometalated iridium (III) complexes with fluorinated 2-phenylpyridine ligands M Naoui, H Brahim, A Guendouzi Journal of Photochemistry and Photobiology A: Chemistry 398, 112624, 2020 | 5 | 2020 |
| Computational studies of Ni (II) photosensitizers complexes containing 1, 1′-bis (diphenylphosphino) ferrocene and dithio ligands S Brahim, H Brahim, S Humbel, A Rahmouni Canadian Journal of Chemistry 98 (4), 194-203, 2020 | 4 | 2020 |
| Geometric, optical, and phosphorescent properties of cationic Ir (III) and Rh (III) complexes with cyclometalated ligands: DFT/TDDFT investigations I Seghir, N Nebbache, H Brahim Monatshefte für Chemie-Chemical Monthly 152, 315-322, 2021 | 2 | 2021 |
