| Experimental and theoretical studies for mild steel corrosion inhibition in 1 M HCl by two new benzothiazine derivatives T Ghailane, RA Balkhmima, R Ghailane, A Souizi, R Touir, ME Touhami, ... Corrosion Science 76, 317-324, 2013 | 164 | 2013 |
| One‐center expansion for pseudopotential matrix elements M Pelissier, N Komiha, JP Daudey Journal of computational chemistry 9 (4), 298-302, 1988 | 92 | 1988 |
| Dipole moments and orientation polarizabilities of diatomic molecular ions for precision atomic mass measurement M Cheng, JM Brown, P Rosmus, R Linguerri, N Komiha, EG Myers Physical Review A—Atomic, Molecular, and Optical Physics 75 (1), 012502, 2007 | 59 | 2007 |
| On the stability of cubic phosphorus, P8 G Trinquier, JP Daudey, N Komiha Journal of the American Chemical Society 107 (24), 7210-7212, 1985 | 57 | 1985 |
| Removal of oxytetracycline by graphene oxide and Boron-doped reduced graphene oxide: A combined density function Theory, molecular dynamics simulation and experimental study A El Hadki, K Ulucan-Altuntas, H El Hadki, CB Ustundag, OK Kabbaj, ... FlatChem 27, 100238, 2021 | 35 | 2021 |
| A density functional study of alizarin two of its isomers and its transition metals and rare-earth complexes N Komiha, OK Kabbaj, M Chraibi Journal of Molecular Structure: THEOCHEM 594 (3), 135-145, 2002 | 34 | 2002 |
| The absorption wavelengths of sulfur chromophors of ultramarines calculated by time-dependent density functional theory J Fabian, N Komiha, R Linguerri, P Rosmus Journal of Molecular Structure: THEOCHEM 801 (1-3), 63-69, 2006 | 30 | 2006 |
| Ab Initio and DFT Studies on CO2 Interacting with Znq+–Imidazole (q=0, 1, 2) Complexes: Prediction of Charge Transfer through σ‐ or π‐Type Models R Boulmene, K Boussouf, M Prakash, N Komiha, MM Al‐Mogren, ... ChemPhysChem 17 (7), 994-1005, 2016 | 28 | 2016 |
| Etude DFT du mécanisme des réactions de cycloaddition dipolaire-1, 3 de la C, N-diphénylnitrone avec des dipolarophiles fluorés de type éthylénique et acétylénique K Marakchi, OK Kabbaj, N Komiha Journal of fluorine chemistry 114 (1), 81-89, 2002 | 28 | 2002 |
| MEDT Study of the 1, 3-DC Reaction of Diazomethane with Psilostachyin and investigation about the interactions of some pyrazoline derivatives with Protease (Mpro) of nCoV-2 M Salah, ME Belghiti, AO Aitouna, A Zeroual, S Jorio, HEA Abdellaoui, ... Journal of Molecular Graphics and Modelling 102, 107763, 2021 | 27 | 2021 |
| Characterization of Zn q+–imidazole (q= 0, 1, 2) organometallic complexes: DFT methods vs. standard and explicitly correlated post-Hartree–Fock methods K Boussouf, R Boulmene, M Prakash, N Komiha, M Taleb, MM Al-Mogren, ... Physical Chemistry Chemical Physics 17 (22), 14417-14426, 2015 | 27 | 2015 |
| Ab initio and DFT studies on the mechanism of the 1, 3-dipolar cycloaddition reaction between nitrone and sulfonylethene chloride K Marakchi, O Kabbaj, N Komiha, R Jalal, M Esseffar Journal of Molecular Structure: THEOCHEM 620 (2-3), 271-281, 2003 | 27 | 2003 |
| Theoretical study of photovoltaic performances of Ru, Rh and Ir half sandwich complexes containing N, N chelating ligands in Dye-Sensitized Solar Cells (DSSCs). DFT and TD-DFT … S Kerraj, M Salah, S Chtita, M El Idrissi, S Belaaouad, M Mohammed, ... Computational and Theoretical Chemistry 1209, 113630, 2022 | 25 | 2022 |
| The photophysical properties and electronic structures of bis [1] benzothieno [6, 7-d: 6′, 7′-d′] benzo [1, 2-b: 4, 5-b′] dithiophene (BBTBDT) derivatives as hole … M Bourass, N Komiha, OK Kabbaj, N Wazzan, M Chemek, M Bouachrine New Journal of Chemistry 43 (40), 15899-15909, 2019 | 24 | 2019 |
| Theoretical study of the 1, 3-DC reaction between fluorinated alkynes and azides: reactivity indices, transition structures, IGM and ELF analysis M Salah, A Zeroual, S Jorio, OK Kabbaj, K Marakchi, N Komiha Journal of Molecular Graphics and Modelling 94, 107458, 2020 | 23 | 2020 |
| Theoretical Study of the CO2 Adsorption by Zeolitic Imidazolate Frameworks (ZIFs) S Izzaouihda, H Abou El Makarim, DM Benoit, N Komiha The Journal of Physical Chemistry C 121 (37), 20259-20265, 2017 | 23 | 2017 |
| Solvation effects and stabilization of multicharged ions: a case study of Ar m BeO q+ complexes R Linguerri, N Komiha, M Hochlaf Physical Chemistry Chemical Physics 14 (12), 4236-4243, 2012 | 20 | 2012 |
| Structural and spectroscopic characterization of methyl isocyanate, methyl cyanate, methyl fulminate, and acetonitrile N-oxide using highly correlated ab initio methods S Dalbouha, ML Senent, N Komiha, R Domínguez-Gómez The Journal of Chemical Physics 145 (12), 2016 | 19 | 2016 |
| Structure, Spectroscopy, and Bonding within the Znq+–Imidazolen (q = 0, 1, 2; n = 1–4) Clusters and Implications for Zeolitic Imidazolate Frameworks and Zn … K Boussouf, T Khairat, M Prakash, N Komiha, G Chambaud, M Hochlaf The Journal of Physical Chemistry A 119 (49), 11928-11940, 2015 | 19 | 2015 |
| Ab initio study of the predissociation processes of the ground and first excited states of N2O+. Potential curves of the lowest states of N2O+ N Komiha Journal of Molecular Structure: THEOCHEM 306 (2-3), 313-320, 1994 | 19 | 1994 |
