RICARDO ANTONIO
MOSQUERA CASTRO
CATEDRATICO/A DE UNIVERSIDAD TC
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University of Antwerp
Amberes, BélgicaPublicacións en colaboración con investigadores/as de University of Antwerp (12)
2006
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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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Hartree-fock energy partitioning in terms of hirshfeld atoms
ChemPhysChem, Vol. 7, Núm. 6, pp. 1294-1305
2005
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Charge density analysis of some processes involving intramolecular hydrogen transfer
Tetrahedron, Vol. 61, Núm. 4, pp. 819-829
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Electron charge redistribution upon hydride addition to carbonylic compounds
Chemical Physics Letters, Vol. 405, Núm. 1-3, pp. 10-17
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Joint QTAIM and Hirshfeld study of the σ and π charge distribution and electron delocalization in carbonyl compounds: A comparative study with the resonance model
Journal of Physical Chemistry A, Vol. 109, Núm. 38, pp. 8624-8631
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Topological study of intramolecular hydrogen bonding in β-hydroxyethylperoxy radical and β-hydroxyethoxy radical along its dissociation pathway
Physical Chemistry Chemical Physics, Vol. 7, Núm. 18, pp. 3290-3296
2004
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Comparison of the AIM and hirshfeld totals, σ, and π Charge distributions: A study of protonation and hydride addition processes
Journal of Physical Chemistry A, Vol. 108, Núm. 34, pp. 7050-7055
1990
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An ab initio gradient study of ethylhydrazine
Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 1-2, pp. 49-66
1989
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AB initio gradient optimized molecular geometry and conformational analysis of 1,2-propanediol at the 4-21G level
Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 323-342
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Ab initio-gradient optimized molecular geometry and conformational analysis of 2-methoxyethanol at the 4-21G level
Journal of Molecular Structure: THEOCHEM, Vol. 188, Núm. 1-2, pp. 95-104
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An ab initio gradient study of trimethylhydrazine
Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 311-322
1988
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Ab initio-gradient optimized molecular geometry and conformational analysis of 1,3-propanediol at the 4-21G level
Journal of Molecular Structure: THEOCHEM, Vol. 181, Núm. 1-2, pp. 149-167