Diferentes trabajos se han publicado en varios medios con agradecimiento a los servicios de supercomputación del CICA:
- On Electronegativity, Hardness, and Reactivity Descriptors: A New Property-Oriented Basis Set Autores: Jesús Sánchez-Márquez, Victor García, David Zorrilla, and Manuel FernándezThe Journal of Physical Chemistry A 2020 124 (23), 4700-4711DOI: 10.1021/acs.jpca.0c01342Link: https://pubs.acs.org/doi/10.1021/acs.jpca.0c01342
- Correlations between Fukui Indices and Reactivity Descriptors Based on Sanderson’s Principle Autor: Jesús Sánchez-MárquezThe Journal of Physical Chemistry A 2019123 (40), 8571-8582DOI: 10.1021/acs.jpca.9b05571link: https://pubs.acs.org/doi/abs/10.1021/acs.jpca.9b05571
- New advances in conceptual-DFT: An alternative way to calculate the Fukui function and dual descriptor. Autor: J. Sánchez-MárquezJ Mol Model 25, 123 (2019).DOI: https://doi.org/10.1007/s00894-019-4000-0Link: https://link.springer.com/article/10.1007/s00894-019-4000-0
- New insights in conceptual DFT: New model for the calculation of local reactivity indices based on the Sanderson’s principle. Autores: Sánchez‐Márquez, J, García, V, Zorrilla, D, Fernández, M.Int J Quantum Chem. 2019; 119:e25844.DOI: https://doi.org/10.1002/qua.25844Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.25844
- Simplified box orbitals for molecules containing atoms beyond Ar Autores: Victor García, David Zorrilla, Jesús Sánchez-Márquez & Manuel Fernández(2018) Molecular Physics, 116:18, 2310-2320DOI: 10.1080/00268976.2018.1481543Link: https://www.tandfonline.com/doi/full/10.1080/00268976.2018.1481543
- Introducing a new methodology for the calculation of local philicity and multiphilic descriptor: an alternative to the finite difference approximation.Autores: Jesús Sánchez-Márquez, David Zorrilla, Víctor García & Manuel Fernández(2018) Molecular Physics, 116:13, 1737-1748DOI: 10.1080/00268976.2018.1445875Link: https://www.tandfonline.com/doi/full/10.1080/00268976.2018.1445875