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List of works by David Ferro-Costas

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

scientific article published on 23 August 2012

Anomeric Effect in Halogenated Methanols: A Quantum Theory of Atoms in Molecules Study

scientific article published on 12 February 2013

Beyond the molecular orbital conception of electronically excited states through the quantum theory of atoms in molecules

scientific article published on 01 May 2014

Chemical reactivity from the vibrational ground-state level. The role of the tunneling path in the tautomerization of urea and derivatives

scientific article published on 03 November 2020

Complementarity of QTAIM and ELF Partitions: Deeper Understanding of the Anomeric Effect

scientific article published on 29 October 2013

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

scientific article published on 10 March 2014

Excluding hyperconjugation from the Z conformational preference and investigating its origin: formic acid and beyond

scientific article published on 01 October 2015

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

scientific article published on 22 June 2016

Influence of the O-Protonation in the O═C–O-Me Z Preference. A QTAIM Study

scientific article published on 18 December 2012

Reply to the 'Comment on "Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature"' by D. Heard, R. Shannon, J. Gomez Martin, R. Caravan, M. Blitz, J. Plane, M. Antiñolo, M. Agundez, E. Jimenez, B. B

scientific article published on 2 March 2018

Revisiting Lewis dot structure weightings: a pair density perspective

scientific article published on 01 March 2015

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

scientific article published in 2015

TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids

chemical compound

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