Follow
lara kabalan
lara kabalan
Verified email at cardiff.ac.uk
Title
Cited by
Cited by
Year
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
1852012
Heterogeneous trimetallic nanoparticles as catalysts
JWM Crawley, IE Gow, N Lawes, I Kowalec, L Kabalan, CRA Catlow, ...
Chemical Reviews 122 (6), 6795-6849, 2022
952022
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
402022
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
402015
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
282018
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
212019
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
212013
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
192022
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
172021
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
172021
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
162023
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
152008
Quantum mechanical calculations on FeOH nanoparticles
JD Kubicki, M Aryanpour, L Kabalan, Q Zhu
Geoderma 189, 236-242, 2012
132012
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
122017
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
122013
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
122012
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
112019
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
72008
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
62016
Roadmap on Data-Centric Materials Science
S Bauer, P Benner, T Bereau, V Blum, M Boley, C Carbogno, R Catlow, ...
Modelling and Simulation in Materials Science and Engineering, 2024
52024
The system can't perform the operation now. Try again later.
Articles 1–20