| ATR–FTIR and density functional theory study of the structures, energetics, and vibrational spectra of phosphate adsorbed onto goethite JD Kubicki, KW Paul, L Kabalan, Q Zhu, MK Mrozik, M Aryanpour, ... Langmuir 28 (41), 14573-14587, 2012 | 184 | 2012 |
| Heterogeneous trimetallic nanoparticles as catalysts JWM Crawley, IE Gow, N Lawes, I Kowalec, L Kabalan, CRA Catlow, ... Chemical Reviews 122 (6), 6795-6849, 2022 | 94 | 2022 |
| Ab initio molecular dynamics study of the interlayer and micropore structure of aqueous montmorillonite clays JL Suter, L Kabalan, M Khader, PV Coveney Geochimica et Cosmochimica Acta 169, 17-29, 2015 | 40 | 2015 |
| The critical role of βPdZn alloy in Pd/ZnO catalysts for the hydrogenation of carbon dioxide to methanol M Bowker, N Lawes, I Gow, J Hayward, JR Esquius, N Richards, LR Smith, ... ACS catalysis 12 (9), 5371-5379, 2022 | 39 | 2022 |
| SERS and DFT study of indigo adsorbed on silver nanostructured surface VM Nardo, A Sinopoli, L Kabalan, RC Ponterio, F Saija, S Trusso Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 205, 465-469, 2018 | 28 | 2018 |
| Intrinsic stability enhancement and ionic migration reduction by fluorinated cations incorporated in hybrid lead halide perovskites F El-Mellouhi, SN Rashkeev, A Marzouk, L Kabalan, A Belaidi, ... Journal of Materials Chemistry C 7 (18), 5299-5306, 2019 | 21 | 2019 |
| Spin crossover complexes [Fe (NH 2 trz) 3](X) 2· n H 2 O investigated by means of polarized Raman scattering and DFT calculations YA Tobon, L Kabalan, S Bonhommeau, N Daro, A Grosjean, P Guionneau, ... Physical Chemistry Chemical Physics 15 (41), 18128-18137, 2013 | 21 | 2013 |
| A computational study of direct CO 2 hydrogenation to methanol on Pd surfaces I Kowalec, L Kabalan, CRA Catlow, AJ Logsdail Physical Chemistry Chemical Physics 24 (16), 9360-9373, 2022 | 18 | 2022 |
| Mechanistic and kinetic investigation on maximizing the formation of levoglucosan from cellulose during biomass pyrolysis A Shaw, X Zhang, L Kabalan, J Li Fuel 286, 119444, 2021 | 17 | 2021 |
| A computational study of the properties of low-and high-index Pd, Cu and Zn surfaces L Kabalan, I Kowalec, CRA Catlow, AJ Logsdail Physical Chemistry Chemical Physics 23 (27), 14649-14661, 2021 | 17 | 2021 |
| Methanol synthesis from CO 2 and H 2 using supported Pd alloy catalysts N Lawes, IE Gow, LR Smith, KJ Aggett, JS Hayward, L Kabalan, ... Faraday Discussions 242, 193-211, 2023 | 16 | 2023 |
| Ab initioMolecular and Solid State Studies of the FeII Spin Cross-over System [Fe(btz)2(NCS)2] (btz = 2.2’-bis-4.5-dihydrothiazine) L Kabalan, SF Matar, M Zakhour, JF Létarda Zeitschrift für Naturforschung B 63 (2), 154-160, 2008 | 15 | 2008 |
| Quantum mechanical calculations on FeOH nanoparticles JD Kubicki, M Aryanpour, L Kabalan, Q Zhu Geoderma 189, 236-242, 2012 | 13 | 2012 |
| Mechanism of Me–Re bond addition to Platinum (II) and dioxygen activation by the resulting Pt–Re bimetallic center KR Pichaandi, L Kabalan, H Amini, G Zhang, H Zhu, HI Kenttämaa, ... Inorganic Chemistry 56 (4), 2145-2152, 2017 | 12 | 2017 |
| Molecular dynamics of spin crossover: The (P, T) phase diagram of [Fe (PM-BIA) 2 (NCS) 2] A Marbeuf, SF Matar, P Négrier, L Kabalan, JF Létard, P Guionneau Chemical Physics 420, 25-34, 2013 | 12 | 2013 |
| Distributed multiscale simulations of clay-polymer nanocomposites J Suter, D Groen, L Kabalan, PV Coveney MRS Online Proceedings Library (OPL) 1470, mrss12-1470-xx02-07, 2012 | 12 | 2012 |
| Experimental and theoretical studies on the mechanical and structural changes imposed by the variation of clay loading on poly (vinyl alcohol)/cloisite® 93A nanocomposites L Kabalan, MM Zagho, MJ Al‐Marri, MM Khader Journal of Vinyl and Additive Technology 25 (2), 172-181, 2019 | 11 | 2019 |
| Molecular and all-solid DFT studies of the magnetic and chemical bonding properties within KM [Cr (CN) 6](M= V, Ni) complexes L Kabalan, SF Matar, C Desplanches, JF Létard, M Zakhour Chemical Physics 352 (1-3), 85-91, 2008 | 7 | 2008 |
| Mechanism of Isomerization and Methyl Migration in Heterobimetallic Rhenium–Iridium Complexes: Experimental and DFT Study KR Pichaandi, L Kabalan, S Kais, MM Abu-Omar Organometallics 35 (4), 605-611, 2016 | 6 | 2016 |
| First principles studies of the electronic and magnetic structures of [Fe (pz) 2] x complex L Kabalan, SF Matar Chemical Physics 359 (1-3), 14-20, 2009 | 4 | 2009 |
