MARCOS
MANDADO ALONSO
CATEDRATICO/A DE UNIVERSIDAD TC
RICARDO ANTONIO
MOSQUERA CASTRO
CATEDRATICO/A DE UNIVERSIDAD TC
Publications dans lesquelles il/elle collabore avec RICARDO ANTONIO MOSQUERA CASTRO (39)
2021
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Teaching quantum chemistry in times of pandemic
EduLearn 21 Proceedings: 13th International Conference on Education and New Learning Technologies Online Conference. 5-6 July, 2021.
2012
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An electron-density-based study on the ionic reactivity of 1,3-azoles
European Journal of Organic Chemistry, pp. 2403-2413
2011
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Electron density distributions of heterocycles: A shortcoming of the resonance model
Quantum Frontiers of Atoms and Molecules (Nova Science Publishers, Inc.), pp. 343-366
2010
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An Electron Density-Based Approach to the Origin of Stacking Interactions
Quantum Biochemistry (Wiley-VCH), pp. 365-387
2009
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6-Electron exchange function as a simple estimator of aromaticity in large polyaromatic hydrocarbons
Chemical Physics Letters, Vol. 470, Núm. 1-3, pp. 140-146
2008
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Interplay between hydrogen bond formation and multicenter π-electron derealization: Intermodular hydrogen bonds
Journal of Physical Chemistry A, Vol. 112, Núm. 34, pp. 7898-7904
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Interplay between hydrogen-bond formation and multicenter π-electron delocalization: Intramolecular hydrogen bonds
Journal of Physical Chemistry A, Vol. 112, Núm. 42, pp. 10689-10696
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The pseudo-π method examined for the computation of multicenter aromaticity indices
Journal of Mathematical Chemistry, Vol. 43, Núm. 1, pp. 111-118
2007
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A computational study on the stacking interaction in quinhydrone
Journal of Physical Chemistry A, Vol. 111, Núm. 10, pp. 1998-2001
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Approximate transferability in conjugated polyalkenes
Chemical Physics Letters, Vol. 437, Núm. 1-3, pp. 1-7
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Characterization of pericyclic reactions using multicenter electron derealization analysis
ChemPhysChem, Vol. 8, Núm. 5, pp. 696-702
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Chemical graph theory and n-center electron delocalization indices: A study on polycyclic aromatic hydrocarbons
Journal of Computational Chemistry, Vol. 28, Núm. 10, pp. 1625-1633
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Nucleophilicity of indole derivatives: Activating and deactivating effects based on proton affinities and electron density properties
Journal of Physical Chemistry A, Vol. 111, Núm. 25, pp. 5557-5562
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QTAIM N-center delocalization indices as descriptors of aromaticity in mono and poly heterocycles
Journal of Computational Chemistry, Vol. 28, Núm. 1, pp. 127-136
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QTAIM electron density study of natural chalcones
Chemical Physics Letters, Vol. 446, Núm. 1-3, pp. 1-7
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Revisiting the calculation of condensed Fukui functions using the quantum theory of atoms in molecules
Journal of Chemical Physics, Vol. 126, Núm. 23
2006
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A charge density analysis on the proximity effect in dicyanoalkanes
Chemical Physics Letters, Vol. 422, Núm. 4-6, pp. 558-564
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A scheme estimating the energy of intramolecular hydrogen bonds in diols
Tetrahedron, Vol. 62, Núm. 17, pp. 4243-4252
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Do the neighboring residues in a polypeptide affect the electron distribution of an amino acid significantly? A quantitative study using the quantum theory of atoms in molecules (QTAIM)
Journal of Chemical Information and Modeling, Vol. 46, Núm. 5, pp. 2056-2065
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Explaining the sequence of protonation affinities of cytosine with QTAIM
Chemical Physics Letters, Vol. 428, Núm. 4-6, pp. 255-261