lara kabalan
lara kabalan
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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
Heterogeneous trimetallic nanoparticles as catalysts
JWM Crawley, IE Gow, N Lawes, I Kowalec, L Kabalan, CRA Catlow, ...
Chemical Reviews 122 (6), 6795-6849, 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
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
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
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
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
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
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
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
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
Quantum mechanical calculations on FeOH nanoparticles
JD Kubicki, M Aryanpour, L Kabalan, Q Zhu
Geoderma 189, 236-242, 2012
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
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
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
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
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
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
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
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
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