Study of NaF–AlF3 Melts by Coupling Molecular Dynamics, Density Functional Theory, and NMR Measurements K Machado, D Zanghi, V Sarou-Kanian, S Cadars, M Burbano, M Salanne, ... The Journal of Physical Chemistry C 121 (19), 10289-10297, 2017 | 38 | 2017 |
Nanoparticles silica anchored Cu(II) and V(IV) scorpionate complexes for selective catalysis of cyclohexane oxidation K Machado, S Mukhopadhyay, GS Mishra Journal of Molecular Catalysis A: Chemical 400, 139-146, 2015 | 24 | 2015 |
Synthesis of superparamagnetic carbon nanotubes immobilized Pt and Pd pincer complexes: highly active and selective catalysts towards cyclohexane oxidation with dioxygen K Machado, J Mishra, S Suzuki, GS Mishra Dalton Transactions 43 (46), 17475-17482, 2014 | 23 | 2014 |
On the determination of ion transport numbers in molten salts using molecular dynamics AE Gheribi, K Machado, D Zanghi, C Bessada, M Salanne, P Chartrand Electrochimica Acta 274, 266-273, 2018 | 18 | 2018 |
Highly selective n-alkanes oxidation to ketones with molecular oxygen catalyzed by SBA-15 supported rhenium catalysts GS Mishra, K Machado, A Kumar Journal of Industrial and Engineering Chemistry 20 (4), 2228-2235, 2014 | 17 | 2014 |
Polymer encapsulated scorpionate Eu 3+ complexes as novel hybrid materials for high performance luminescence applications K Machado, S Mukhopadhyay, RA Videira, J Mishra, SM Mobin, ... RSC Advances 5 (45), 35675-35682, 2015 | 15 | 2015 |
Anionic structure in molten cryolite–alumina systems K Machado, D Zanghi, M Salanne, V Stabrowski, C Bessada The Journal of Physical Chemistry C 122 (38), 21807-21816, 2018 | 13 | 2018 |
Structural, Dynamic, and Thermodynamic Study of KF–AlF3 Melts by Combining High-Temperature NMR and Molecular Dynamics Simulations K Machado, D Zanghi, M Salanne, C Bessada The Journal of Physical Chemistry C 123 (4), 2147-2156, 2019 | 10 | 2019 |
Study of the NaF-ScF3 system as a molten bath for production of Sc alloys: A combination of NMR and molecular dynamics simulations A Rakhmatullin, K Machado, D Zanghi, IB Polovov, R Bakirov, ... Journal of Alloys and Compounds 786, 953-959, 2019 | 9 | 2019 |
Study of the partial charge transport properties in the molten alumina via molecular dynamics AE Gheribi, A Serva, M Salanne, K Machado, D Zanghi, C Bessada, ... ACS omega 4 (5), 8022-8030, 2019 | 9 | 2019 |
Single site anchored novel pentacoordinate Schiff-base Co (II) complexes over SBA-15 for selective oxidation (O2) of n-alkanes and kinetic study K Machado, PB Tavares, C Freire, GS Mishra Polyhedron 69, 119-126, 2014 | 9 | 2014 |
Synthesis and application of FeIII, NiII and MnII complexes anchored to HMS as efficient catalysts for cycloalkane oxyfunctionalization K Machado, PB Tavares, GS Mishra Journal of Molecular Catalysis A: Chemical 383, 159-166, 2014 | 6 | 2014 |
First-principles determination of transference numbers in cryolitic melts AE Gheribi, M Salanne, D Zanghi, K Machado, C Bessada, P Chartrand Industrial & Engineering Chemistry Research 59 (29), 13305-13314, 2020 | 5 | 2020 |
Experimental and thermodynamic assessment of the fluoride-rich region in the Cu-OF system F Deschênes-Allard, C Robelin, D Zanghi, S Bouvet, S Ory, E Véron, ... Thermochimica acta 663, 194-214, 2018 | 5 | 2018 |
Chimie des Bains pour l’Electrolyse de l’Aluminium: Étude RMN Haute Température et Modélisation K Machado Université d'Orléans, 2017 | 3 | 2017 |
Approach of the Molten Salt Chemistry for Aluminium Production: High Temperature NMR Measurements, Molecular Dynamics and DFT Calculations K Machado, D Zanghi, V Sarou-Kanian, S Cadars, M Burbano, M Salanne, ... Advances in Molten Slags, Fluxes, and Salts: Proceedings of the 10th …, 2016 | 2 | 2016 |
Some news about speciation in molten fluorides... or… a successful connection between experiments and modeling C Bessada, K Machado, D Zanghi, S Cadars, V Sarou-Kanian, M Salanne 2016-Sustainable Industrial Processing Summit 9, 111-112, 2016 | | 2016 |