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On the mechanism of the thermal retrocycloaddition of pyrrolidinofullerenes (retro-Prato reaction)Structural Preferences in Phosphanylthiolato Platinum(II) ComplexesA complete guide on the influence of metal clusters in the Diels-Alder regioselectivity of I(h)-C80 endohedral metallofullerenes.Atropisomeric discrimination in new Ru(II) complexes containing the C(2)-symmetric didentate chiral phenyl-1,2-bisoxazolinic ligand.Fast O2 binding at dicopper complexes containing Schiff-base dinucleating ligands.The reactivity of endohedral fullerenes. What can be learnt from computational studies?Facile C-H bond cleavage via a proton-coupled electron transfer involving a C-H...Cu(II) interaction.Analysis of a Compound Class with Triplet States Stabilized by Potentially Baird Aromatic [10]Annulenyl Dicationic Rings.On the Reaction Mechanism of the Rhodium-Catalyzed Arylation of Fullerene (C60) with Organoboron Compounds in the Presence of WaterComputational methods to predict the reactivity of nanoparticles through structure-property relationships.Forty years of Clar's aromatic π-sextet rule.The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes.Quantifying aromaticity with electron delocalisation measures.Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine.A theoretical study of steric and electronic effects in the rhodium-catalyzed carbonylation reactions.Molecular structures of M2N2(2-) (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm.On the mechanism of action of fullerene derivatives in superoxide dismutation.Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper(I) complex.Fmoc-RGDS based fibrils: atomistic details of their hierarchical assembly.A Full Dimensionality Approach to Evaluate the Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Tunneling Motions.Structural Preferences in Phosphanylthiolato Platinum(II) Complexes.Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures.Why Aromaticity Is a Suspicious Concept? Why?O2 chemistry of dicopper complexes with alkyltriamine ligands. Comparing synergistic effects on O2 binding.Ene reactions between two alkynes? Doors open to thermally induced cycloisomerization of macrocyclic triynes and enediynes.Reactivity and regioselectivity of noble gas endohedral fullerenes Ng@C(60) and Ng(2)@C(60) (Ng=He-Xe).Dötz benzannulation reactions: heteroatom and substituent effects in chromium Fischer carbene complexes.Competitive retro-cycloaddition reaction in fullerene dimers connected through pyrrolidinopyrazolino rings.Diels-Alder reaction between cyclopentadiene and C60: an analysis of the performance of the ONIOM method for the study of chemical reactivity in fullerenes and nanotubes.Electrochemical control of the regioselectivity in the exohedral functionalization of C60: the role of aromaticity.Mechanism of the addition reaction of alkyl azides to [60]fullerene and the subsequent N2 extrusion to form monoimino-[60]fullerenes.X2Y2 isomers: tuning structure and relative stability through electronegativity differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te).On the validity of the maximum hardness principle and the minimum electrophilicity principle during chemical reactions.Inter- and intramolecular dispersion interactions.Ruthenium complexes with chiral bis-pinene ligands: an array of subtle structural diversity.Unraveling the origin of the relative stabilities of group 14 M2N2(2+) (M, N = C, Si, Ge, Sn, and Pb) isomer clusters.Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules.Spin-state-corrected Gaussian-type orbital basis sets.Regioselective intramolecular Pauson-Khand reactions of C60: an electrochemical study and theoretical underpinning.Regioselective intramolecular nucleophilic addition of alcohols to C60: one-step formation of a cis-1 bicyclic-fused fullerene.
P50
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P50
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Spaans onderzoeker
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Miquel Solà i Puig
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Miquel Solà i Puig
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Miquel Solà i Puig
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Miquel Solà
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Miquel Solà
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Miquel Solà i Puig
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Miquel Solà i Puig
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Miquel Solà
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Miquel Solà
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Miquel Solà i Puig
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Miquel Solà i Puig
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Miquel Solà i Puig
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Miquel Solà
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Miquel Solà
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Miquel Solà
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P106
P214
P950
P1053
A-6155-2009
P1153
7101669544
P1273
P1412
P1580
P19
P1950
P1960
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P2002
miquelsola