List of works - Ricardo A Mosquera

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

A box-counting-based algorithm for computing Shannon entropy in molecular dynamics simulations.

scientific article published in April 2003

A computational study on the stacking interaction in quinhydrone.

scientific article published on 20 February 2007

A density functional theory study on pelargonidin.

scientific article published on 11 October 2007

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

Characterization of pericyclic reactions using multicenter electron delocalization analysis.

scientific article published in April 2007

Chemical graph theory and n-center electron delocalization indices: a study on polycyclic aromatic hydrocarbons

scientific article published on 01 July 2007

Chiroptical Symmetry Analysis: Exciton Chirality-Based Formulae to Understand the Chiroptical Responses of and Symmetric Systems

article

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

scientific article published on 29 October 2013

Computational study on the stacking interaction in catechol complexes.

scientific article published in October 2009

Conformational and substitution effects on the electron distribution in a series of anthocyanidins.

scientific article published in September 2009

Do the neighboring residues in a polypeptide affect the electron distribution of an amino acid significantly? A quantitative study using the quantum theory of atoms in molecules (QTAIM)

scientific article published on 01 September 2006

Driving Forces in the Sharpless Epoxidation Reaction: A Coupled AIMD/QTAIM Study.

scientific article

Effects of Axial Coordination on Immobilized Mn(salen) Catalysts

scientific article published on 03 November 2014

Electron density analysis on the protonation of nitriles

scientific article published on 01 March 2009

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

scientific article published on 10 March 2014

Electronic interpretation of conformational preferences in benzyl derivatives and related compounds

scientific article published on 22 September 2011

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

scientific article published on 01 October 2015

Hartree-Fock energy partitioning in terms of Hirshfeld atoms

scientific article published on 01 June 2006

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

Influence of the solvent on the charge distribution of anomeric compounds

scientific article published on 15 February 2011

Interpretation of anomeric effect in the N-C-N unit with the quantum theory of atoms in molecules

scientific article published on 09 August 2007

Joint QTAIM and Hirshfeld study of the sigma and pi charge distribution and electron delocalization in carbonyl compounds: a comparative study with the resonance model

scientific article published on 01 September 2005

Nucleophilicity of indole derivatives: activating and deactivating effects based on proton affinities and electron density properties.

scientific article published in June 2007

On the applicability of resonance forms in pyrimidinic bases. II. QTAIM interpretation of the sequence of protonation affinities

scientific article published on 01 April 2005

On the electron donor and the electrophilic substitution activating abilities of substituents in uracil

scientific article published on 01 May 2006

On the electronic origin of strain energy: QTAIM study of perfluorocycloalkanes

scientific article published on 01 October 2006

On the electronic structure of cocaine and its metabolites.

scientific article published in December 2009

Principal component analysis of Mn(salen) catalysts.

scientific article published on 22 October 2014

QTAIM N-center delocalization indices as descriptors of aromaticity in mono and poly heterocycles

scientific article published on 01 January 2007

Quantum theory of atoms in molecules analysis on the conformational preferences of vinyl alcohol and related ethers

scientific article published on 01 August 2005

Revisiting Lewis dot structure weightings: a pair density perspective

scientific article published on 01 March 2015

Revisiting the calculation of condensed Fukui functions using the quantum theory of atoms in molecules.