| Density Functional Theory-Based Adsorption Isotherms for Pure and Flue Gas Mixtures on Mg-MOF-74. Application in CO2 Capture Swing Adsorption Processes G Alonso, D Bahamon, F Keshavarz, X Giménez, P Gamallo, R Sayós The Journal of Physical Chemistry C 122 (7), 3945-3957, 2018 | 45 | 2018 |
| Docking, molecular dynamics simulation studies, and structure-based QSAR model on cytochrome P450 2A6 inhibitors S Gharaghani, T Khayamian, F Keshavarz Structural Chemistry 23, 341-350, 2012 | 24 | 2012 |
| Molecular interaction of benzalkonium Ibuprofenate and its discrete ingredients with human serum albumin F Keshavarz, MM Alavianmehr, R Yousefi Physical Chemistry Research 1 (2), 111-116, 2013 | 19 | 2013 |
| Molecular dynamics simulation and docking studies on the binding properties of several anticancer drugs to human serum albumin F Keshavarz, MM Alavianmehr, R Yousefi Molecular Biology Research Communications 1 (2), 65-73, 2013 | 15 | 2013 |
| Molecular-level understanding of highly selective heavy rare earth element uptake by organophosphorus modified MIL-101 (Cr) F Keshavarz, V Kavun, MA van der Veen, E Repo, B Barbiellini Chemical Engineering Journal 440, 135905, 2022 | 13 | 2022 |
| Dual-target anticancer drug candidates: Rational design and simulation studies F Keshavarz, D Mohammad-Aghaie Physical Chemistry Research 3 (2), 125-143, 2015 | 13 | 2015 |
| Study on the interaction of three structurally related cationic Pt (II) complexes with human serum albumin: importance of binding affinity and denaturing properties R Yousefi, M Jamshidi, MB Shahsavani, SM Nabavizadeh, MG Haghighi, ... Journal of the Iranian Chemical Society 13, 617-630, 2016 | 12 | 2016 |
| Electrochemical potential of the metal organic framework MIL-101 (Fe) as cathode material in Li-ion batteries F Keshavarz, M Kadek, B Barbiellini, A Bansil Condensed Matter 6 (2), 22, 2021 | 11 | 2021 |
| New particle formation from the vapor phase: From barrier-controlled nucleation to the collisional limit KK Dingilian, M Lippe, J Kubečka, J Krohn, C Li, R Halonen, ... The journal of physical chemistry letters 12 (19), 4593-4599, 2021 | 10 | 2021 |
| Molecular Origin of the Sign Preference of Ion-Induced Heterogeneous Nucleation in a Complex Ionic Liquid–Diethylene Glycol System F Keshavarz, J Kubecka, M Attoui, H Vehkamaki, T Kurten, ... The Journal of Physical Chemistry C 124 (49), 26944-26952, 2020 | 9 | 2020 |
| Reaction mechanisms underlying unfunctionalized alkyl nitrate hydrolysis in aqueous aerosols F Keshavarz, JA Thornton, H Vehkamaki, T Kurten ACS Earth and Space Chemistry 5 (2), 210-225, 2021 | 8 | 2021 |
| Probing the binding of thioTEPA to human serum albumin using spectroscopic and molecular simulation approaches MM Alavianmehr, R Yousefi, F Keshavarz, D Mohammad-Aghaie Canadian Journal of Chemistry 92 (11), 1066-1073, 2014 | 7 | 2014 |
| A Structure‐based QSAR and Docking Study on Imidazo[1,5‐a][1,2,4]‐triazolo[1,5‐d][1,4,]benzodiazepines as Selective GABAAα5 Inverse Agonists S Gharaghani, T Khayamian, F Keshavarz Chemical biology & drug design 78 (4), 612-621, 2011 | 7 | 2011 |
| Anodic activity of hydrated and anhydrous Iron (II) oxalate in Li-ion batteries F Keshavarz, M Kadek, B Barbiellini, A Bansil Condensed Matter 7 (1), 8, 2022 | 6 | 2022 |
| Heterogeneous Nucleation of Butanol on NaCl: A Computational Study of Temperature, Humidity, Seed Charge, and Seed Size Effects A Toropainen, J Kangasluoma, T Kurtén, H Vehkamaki, F Keshavarz, ... The Journal of Physical Chemistry A 125 (14), 3025-3036, 2021 | 5 | 2021 |
| Molecular level insights into the direct health impacts of some organic aerosol components F Keshavarz New Journal of Chemistry 45 (15), 6709-6723, 2021 | 5 | 2021 |
| Identifying redox orbitals and defects in lithium-ion cathodes with compton scattering and positron annihilation spectroscopies: A review J Nokelainen, B Barbiellini, J Kuriplach, S Eijt, R Ferragut, X Li, ... Condensed Matter 7 (3), 47, 2022 | 4 | 2022 |
| Computational study of the effect of mineral dust on secondary organic aerosol formation by accretion reactions of closed-shell organic compounds F Keshavarz, A Shcherbacheva, J Kubecka, H Vehkamaki, T Kurten The Journal of Physical Chemistry A 123 (42), 9008-9018, 2019 | 4 | 2019 |
| A single‐ and multireference study on CH (X2Π) reaction with O2 () F Keshavarz, SH Mousavipour International Journal of Chemical Kinetics 51 (3), 161-177, 2019 | 4 | 2019 |
| Spectroscopic and Molecular Dynamics Studies on Binding of Dimethylplatinum (II) Complex Drug to Human Serum Albumin R Yousefi, MM Alavianmehr, F Mokhtari, F Keshavarz, SM Nabavizadeh, ... Bulletin of the Chemical Society of Japan 87 (10), 1094-1100, 2014 | 4 | 2014 |
