Facultade de Química
Facultad
Ricardo
Mosquera Castro
Publicacións nas que colabora con Ricardo Mosquera Castro (28)
2018
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Teaching chemical bonding through project-based learning
EDULEARN18 Proceedings: 10th International Conference on Education and New Learning Technology (July 2nd-4th, 2018, Palma, Spain)
2016
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COMPUTER EXERCISES TO MOTIVATE LEARNING ON ESSENTIAL ISSUES OF MOLECULAR QUANTUM CHEMISTRY
EDULEARN16: 8TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES
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How Electronic Excitation Can be Used to Inhibit Some Mechanisms Associated to Substituent Effects
ChemPhysChem, pp. 2666-2671
2015
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Excluding hyperconjugation from the Z conformational preference and investigating its origin: formic acid and beyond
Physical Chemistry Chemical Physics, Vol. 17, Núm. 40, pp. 26946-26954
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Exploring the versatility of the gCH topological electronegativity estimator
Computational and Theoretical Chemistry, Vol. 1053, pp. 85-89
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NUMERICAL EXERCISES TO EXPLORE CHEMICAL CONCEPTS WITH SIMPLE MODELS
EDULEARN15: 7TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES
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Revisiting Lewis dot structure weightings: A pair density perspective
Physical Chemistry Chemical Physics, Vol. 17, Núm. 11, pp. 7424-7434
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Revisiting the carbonyl n → π∗ electronic excitation through topological eyes: expanding, enriching and enhancing the chemical language using electron number distribution functions and domain averaged Fermi holes
Physical Chemistry Chemical Physics, Vol. 17, Núm. 39, pp. 26059-26071
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When valence bond wave functions are analyzed through QTAIM: Conceptual incompatibilities in H2
Chemical Physics Letters, Vol. 618, pp. 83-88
2014
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Beyond the molecular orbital conception of electronically excited states through the quantum theory of atoms in molecules
Physical Chemistry Chemical Physics, Vol. 16, Núm. 20, pp. 9249-9258
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COMMENTING THE PHYSICAL MEANING OF USUAL ELECTRONEGATIVITY SCALES
EDULEARN14: 6TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES
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Electronegativity estimator built on QTAIM-based domains of the bond electron density
Journal of Computational Chemistry, Vol. 35, Núm. 13, pp. 978-985
2013
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Anomeric effect in halogenated methanols: A quantum theory of atoms in molecules study
Journal of Physical Chemistry A, Vol. 117, Núm. 7, pp. 1641-1650
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Complementarity of QTAIM and ELF partitions: Deeper understanding of the anomeric effect
Journal of Chemical Theory and Computation, Vol. 9, Núm. 11, pp. 4816-4824
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Influence of the O-protonation in the O=C-O-Me Z preference. A QTAIM study
Journal of Physical Chemistry A, Vol. 117, Núm. 1, pp. 257-265
2012
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A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O=C-X-R and related units
Journal of Computational Chemistry, Vol. 33, Núm. 32, pp. 2533-2543
1997
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Conformational analysis of model compounds of vitamin D by theoretical calculations
Journal of Computational Chemistry, Vol. 18, Núm. 13, pp. 1647-1655
1992
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Structure-activity relationships in verapamil and analogues using molecular mechanics calculations
International Journal of Pharmaceutics, Vol. 79, Núm. 1-3, pp. 199-203
1991
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An ab initio conformational analysis of isobutylamine and diisopropylamine
Journal of Molecular Structure: THEOCHEM, Vol. 251, Núm. C, pp. 319-326
1990
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Ab initio gradient conformational analysis of polyazocyclohexanes:1,4-diazocyclohexane, 1,3-diazocyclohexane and 1,3,5-triazocyclohexane
Journal of Molecular Structure: THEOCHEM, Vol. 205, Núm. C, pp. 223-234