
M JOSE
AURELL PIQUER
TITULAR D'UNIVERSITAT
Publications (75) M JOSE AURELL PIQUER publications
2024
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A molecular electron density theory study of hydrogen bond catalysed polar Diels–Alder reactions of α,β-unsaturated carbonyl compounds
Tetrahedron Chem, Vol. 10
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A molecular electron density theory study of the bimolecular nucleophilic substitution reactions on monosubstituted methyl compounds
Organic and Biomolecular Chemistry, Vol. 22, Núm. 36, pp. 7425-7437
2023
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A Molecular Electron Density Theory Study of the Domino Reaction of N-Phenyl Iminoboranes with Benzaldehyde Yielding Fused Bicyclic Compounds
Molecules, Vol. 28, Núm. 17
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A Molecular Electron Density Theory Study of the Polar Diels-Alder Reaction of Naphtoquinone:Cr(CO)3 Complex with Cyclic Dienes
Polycyclic Aromatic Compounds, Vol. 43, Núm. 9, pp. 8065-8081
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Unveiling the electrophilic aromatic substitution reactions of pyridine derivatives with nitronium ion through molecular electron density theory
New Journal of Chemistry, Vol. 47, Núm. 11, pp. 5193-5202
2022
2021
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Acceptorless dehydrogenative condensation: synthesis of indoles and quinolines from diols and anilines
Organic and Biomolecular Chemistry, Vol. 19, Núm. 3, pp. 677-683
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Unveiling the Intramolecular Ionic Diels–Alder Reactions within Molecular Electron Density Theory
Chemistry (Switzerland), Vol. 3, Núm. 3, pp. 834-853
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Unveiling the ionic diels–alder reactions within the molecular electron density theory
Molecules, Vol. 26, Núm. 12
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Unveiling the regioselectivity in electrophilic aromatic substitution reactions of deactivated benzenes through molecular electron density theory
New Journal of Chemistry, Vol. 45, Núm. 30, pp. 13626-13638
2019
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Empirical modeling of material composition and size in MOFs prepared with ligand mixtures
Dalton Transactions, Vol. 48, Núm. 9, pp. 2881-2885
2018
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A new mechanism for internal nucleophilic substitution reactions
Organic and Biomolecular Chemistry, Vol. 16, Núm. 7, pp. 1101-1112
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A theoretical study on NHC-catalysed enantioselective cycloaddition of ketenes and 3-aroylcoumarins: mechanism and enantioselectivity
Organic and Biomolecular Chemistry, Vol. 16, Núm. 30, pp. 5474-5482
2017
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Synthesis, Optical Properties, and DNA Interaction of New Diquats Based on Triazolopyridines and Triazoloquinolines
Chemistry - A European Journal, Vol. 23, Núm. 52, pp. 12825-12832
2016
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A DFT study of the mechanism of NHC catalysed annulation reactions involving α,β-unsaturated acyl azoliums and β-naphthol
Organic and Biomolecular Chemistry, Vol. 14, Núm. 35, pp. 8338-8345
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Theoretical study of the regio- and stereoselectivity of the intramolecular Povarov reactions yielding 5H-chromeno[2,3-c] acridine derivatives
RSC Advances, Vol. 6, Núm. 19, pp. 15759-15769
2015
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A mechanistic study of the participation of azomethine ylides and carbonyl ylides in [3+2] cycloaddition reactions
Tetrahedron, Vol. 71, Núm. 7, pp. 1050-1057
2014
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A DFT analysis of the participation of zwitterionic TACs in polar [3+2] cycloaddition reactions
Tetrahedron, Vol. 70, Núm. 30, pp. 4519-4525
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A DFT study of the domino reactions between imidazole NHC, ketenimines and DMAD or MP acetylene derivatives yielding spiro-pyrroles
Computational and Theoretical Chemistry, Vol. 1030, pp. 25-32
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The mechanism of ionic Diels-Alder reactions. A DFT study of the oxa-Povarov reaction
RSC Advances, Vol. 4, Núm. 32, pp. 16567-16577