| The effect of formation of second hydrogen bond in adjacent two-ring resonance-assisted hydrogen bonds–Ab initio and QTAIM studies M Fazli, H Raissi, B Chahkandi, M Aarabi Journal of Molecular Structure: THEOCHEM 942 (1-3), 115-120, 2010 | 19 | 2010 |
| Coexistence of intra-and intermolecular hydrogen bonds: salicylic acid and salicylamide and their thiol counterparts S Gholami, M Aarabi, SJ Grabowski The Journal of Physical Chemistry A 125 (7), 1526-1539, 2021 | 11 | 2021 |
| Water binding to Fe III hemes studied in a cooled ion trap: characterization of a strong ‘weak’ligand M Aarabi, S Soorkia, G Grégoire, M Broquier, A de La Lande, B Soep, ... Physical Chemistry Chemical Physics 21 (38), 21329-21340, 2019 | 11 | 2019 |
| The dramatic effect of N-methylimidazole on trans axial ligand binding to ferric heme: experiment and theory M Aarabi, R Omidyan, S Soorkia, G Grégoire, M Broquier, ME Crestoni, ... Physical Chemistry Chemical Physics 21 (4), 1750-1760, 2019 | 11 | 2019 |
| S− H… O and O− H… O Hydrogen Bonds‐Comparison of Dimers of Thiocarboxylic and Carboxylic Acids M Aarabi, S Gholami, SJ Grabowski ChemPhysChem 21 (15), 1653-1664, 2020 | 10 | 2020 |
| Hydrogen and Lithium Bonds—Lewis Acid Units Possessing Multi-Center Covalent Bonds M Aarabi, S Gholami, SJ Grabowski Molecules 26 (22), 6939, 2021 | 7 | 2021 |
| Double Centrosymmetric Si··· π Tetrel Bonds as New Synthons─ Evidence from Crystal Structures and DFT Calculations M Aarabi, S Gholami, SJ Grabowski The Journal of Physical Chemistry A 127 (47), 9995-10007, 2023 | 1 | 2023 |
| Proton and Lithium Cations Linked to π‐Electron and σ‐Electron Systems: Are Such Interactions beyond or within the Definition of Hydrogen/Lithium Bond? S Gholami, M Aarabi, SJ Grabowski ChemPhysChem 23 (20), e202200273, 2022 | 1 | 2022 |
| Theoretical insights on the effect of environments on binding of CO to the Heme: Ferrous and Ferric systems F Fateminasab, M Aarabi, A de la Lande, R Omidyan Journal of Molecular Liquids 344, 117961, 2021 | 1 | 2021 |
| Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct P Malakar, S Gholami, M Aarabi, I Rivalta, M Sheves, M Garavelli, ... Nature Communications 15 (1), 2136, 2024 | | 2024 |
| Theoretical Insights into Bifurcated Intramolecular Dihydrogen Bonds S Gholami, M Aarabi, SJ Grabowski ChemPhysChem, e202300849, 2024 | | 2024 |
| Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes M Aarabi, D Aranda, S Gholami, SK Meena, F Lerouge, Y Bretonniere, ... Journal of Chemical Theory and Computation 19 (17), 5938-5957, 2023 | | 2023 |
| The dramatic effect of N-methylimidazole on trans axial ligand binding to ferric heme: experiment and theory M Broquier, G Grégoire, S Soorkia, R Omidyan, M Aarabi, N Shafizadeh | | |
Samira GholamiForschungszentrum Jülich, Institute for Advanced Simulation, Computational Biomedicine (IAS-5/INM-9)Verified email at fz-juelich.de
