Publicacións nas que colabora con David Ferro Costas (18)

2018

  1. Teaching chemical bonding through project-based learning

    Edulearn 18. 10th International Conference on Education and New Learning Technology: (Palma, 2nd-4th of July, 2018). Conference proceedings

2016

  1. COMPUTER EXERCISES TO MOTIVATE LEARNING ON ESSENTIAL ISSUES OF MOLECULAR QUANTUM CHEMISTRY

    EDULEARN16: 8TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES

  2. How Electronic Excitation Can be Used to Inhibit Some Mechanisms Associated to Substituent Effects

    ChemPhysChem, pp. 2666-2671

2015

  1. 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

  2. Exploring new applications for QTAIM and its complementarity with other methods

    Exploring new applications for QTAIM and its complementarity with other methods

  3. Exploring the versatility of the gCH topological electronegativity estimator

    Computational and Theoretical Chemistry, Vol. 1053, pp. 85-89

  4. NUMERICAL EXERCISES TO EXPLORE CHEMICAL CONCEPTS WITH SIMPLE MODELS

    EDULEARN15: 7TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES

  5. Resonance assisted electron transport in oligophenyl conductors

    Computational and Theoretical Chemistry, Vol. 1053, pp. 263-269

  6. Revisiting Lewis dot structure weightings: A pair density perspective

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 11, pp. 7424-7434

  7. 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

  8. When valence bond wave functions are analyzed through QTAIM: Conceptual incompatibilities in H2

    Chemical Physics Letters, Vol. 618, pp. 83-88

2014

  1. 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

  2. COMMENTING THE PHYSICAL MEANING OF USUAL ELECTRONEGATIVITY SCALES

    EDULEARN14: 6TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES

  3. Electronegativity estimator built on QTAIM-based domains of the bond electron density

    Journal of Computational Chemistry, Vol. 35, Núm. 13, pp. 978-985

2013

  1. 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

  2. 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

  3. 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

  1. 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