Lanthanide polyoxocationic complexes: experimental and theoretical stability studies and Lewis acid catalysis H El Moll, B Nohra, P Mialane, J Marrot, N Dupré, B Riflade, M Malacria, ... Chemistry–A European Journal 17 (50), 14129-14138, 2011 | 52 | 2011 |
Computational Study of NaVOPO4 Polymorphs as Cathode Materials for Na-Ion Batteries: Diffusion, Electronic Properties, and Cation-Doping Behavior PA Aparicio, JA Dawson, MS Islam, NH de Leeuw The Journal of Physical Chemistry C 122 (45), 25829-25836, 2018 | 42 | 2018 |
Electrochemical Behavior of α1/α2-[Fe(H2O)P2W17O61]7– Isomers in Solution: Experimental and DFT Studies N Vila, PA Aparicio, F Secheresse, JM Poblet, X Lopez, IM Mbomekalle Inorganic Chemistry 51 (11), 6129-6138, 2012 | 32 | 2012 |
Modular Molecules: Site‐Selective Metal Substitution, Photoreduction, and Chirality in Polyoxometalate Hybrids M Vonci, F Akhlaghi Bagherjeri, PD Hall, RW Gable, A Zavras, RAJ O'Hair, ... Chemistry–A European Journal 20 (43), 14102-14111, 2014 | 31 | 2014 |
99Tc and Re Incorporated into Metal Oxide Polyoxometalates: Oxidation State Stability Elucidated by Electrochemistry and Theory D McGregor, BP Burton-Pye, IM Mbomekalle, PA Aparicio, S Romo, ... Inorganic Chemistry 51 (16), 9017-9028, 2012 | 28 | 2012 |
Electrochemical behaviour of mixed d metal-iron containing Wells-Dawson sandwich-type complexes:[(FeOH2) 2M2 (X2W15O56) 2] n− and [(MOH2) 2Fe2 (X2W15O56) 2] n−(M= CrIII, MnIII … F Doungmene, PA Aparicio, J Ntienoue, CSA Mezui, P de Oliveira, ... Electrochimica Acta 125, 674-682, 2014 | 23 | 2014 |
Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li 1− x Mn 2 O 4 spinel (0.000< x< 0.375): a DFT+ U-D3 study B Ramogayana, D Santos-Carballal, PA Aparicio, MG Quesne, ... Physical Chemistry Chemical Physics 22 (12), 6763-6771, 2020 | 21 | 2020 |
Electronic structure, ion diffusion and cation doping in the Na 4 VO (PO 4) 2 compound as a cathode material for Na-ion batteries PA Aparicio, NH De Leeuw Physical Chemistry Chemical Physics 22 (12), 6653-6659, 2020 | 21 | 2020 |
Tungsten Redox Waves in [XMW11O40]n– (X = P, Si, Al and M = W, Mo, V, Nb, Ti) Keggin Compounds – Effect of Localised/Delocalised Charges PA Aparicio, JM Poblet, X López European Journal of Inorganic Chemistry 2013 (10‐11), 1910-1916, 2013 | 20 | 2013 |
Mixed-metal hybrid polyoxometalates with amino acid ligands: electronic versatility and solution properties FA Bagherjeri, M Vonci, EA Nagul, C Ritchie, RW Gable, MB Taylor, ... Inorganic Chemistry 55 (23), 12329-12347, 2016 | 15 | 2016 |
Effect of electron (de) localization and pairing in the electrochemistry of polyoxometalates: study of Wells–Dawson molybdotungstophosphate derivatives L Parent, PA Aparicio, P de Oliveira, AL Teillout, JM Poblet, X López, ... Inorganic Chemistry 53 (12), 5941-5949, 2014 | 15 | 2014 |
Ability of DFT calculations to correctly describe redox potentials and electron (de) localization in polyoxometalates PA Aparicio, X López, JM Poblet Journal of Molecular and Engineering Materials 2 (01), 1440004, 2014 | 12 | 2014 |
Quantum chemical modeling of tri-Mn-substituted W-based Keggin polyoxoanions A Kremleva, PA Aparicio, A Genest, N Rösch Electrochimica Acta 231, 659-669, 2017 | 11 | 2017 |
Electrochemical behaviour of mixed d metal-iron containing Wells-Dawson sandwich-type complexes:[(FeOH {sub 2}){sub 2} M {sub 2}(X {sub 2} W {sub 15} O {sub 56}){sub 2}]{sup n … F Doungmene, PA Aparicio, J Ntienoue, CSA Mezui, P Oliveira, X López, ... Electrochimica Acta 125, 2014 | | 2014 |
Tungsten Redox Waves in [XMW 11 O 40] n–(X= P, Si, Al andM= W, Mo, V, Nb, Ti) K eggin Compounds–Effect of Localised/Delocalised Charges X López, JM Poblet, PA Aparicio | | 2013 |
A modular synthetic device to calibrate promoters D Gamermann, A Montagud, P Aparicio, E Navarro, J Triana, FR Villatoro, ... Journal of Biological Systems 20 (01), 37-55, 2012 | | 2012 |
Effect of Electron (De) Localization and Pairing in the Electrochemistry of Wells-Dawson Mo/W-derivatives L Parent, PA Aparicio, P De Oliveira, AL Teillout, JM Poblet, XL IM Electronic Effects Governing the Redox Properties of Polyoxometalates, 61, 0 | | |