Lista de obras - Ricardo A Mosquera - Dominio Público Uruguay

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

artículo científico publicado en 2012

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

artículo científico publicado en 2003

A computational study on the stacking interaction in quinhydrone.

artículo científico publicado en 2007

A density functional theory study on pelargonidin.

artículo científico publicado en 2007

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

artículo científico publicado en 2013

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

artículo científico publicado en 2014

Characterization of pericyclic reactions using multicenter electron delocalization analysis.

artículo científico publicado en 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

artículo científico publicado en 2013

Computational study on the stacking interaction in catechol complexes.

artículo científico publicado en 2009

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

artículo científico publicado en 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.

artículo científico publicado en 2017

Effects of Axial Coordination on Immobilized Mn(salen) Catalysts

artículo científico publicado en 2014

Electron density analysis on the protonation of nitriles

artículo científico publicado en 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

artículo científico publicado en 2011

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

artículo científico publicado en 2015

Hartree-Fock energy partitioning in terms of Hirshfeld atoms

artículo científico publicado en 2006

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

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 2005

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

artículo científico publicado en 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

artículo científico publicado en 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.

artículo científico publicado en 2009

Principal component analysis of Mn(salen) catalysts.

artículo científico publicado en 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

artículo científico publicado en 2005

Revisiting Lewis dot structure weightings: a pair density perspective

artículo científico publicado en 2015

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

artículo científico publicado en 2007

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

artículo científico publicado en 2015

Roots of Acetate-Vanadium Linkage Isomerism: A QTAIM Study

artículo científico publicado en 2016

Synthesis and structural study of pyrimidyl carbocyclic analogues of nucleosides based on cyclopentene rings.

artículo científico publicado en 2001

Theoretical study of the electronic structure of CnS (n=1-6) thiocumulenes

scientific article published on 01 December 2004

Lista de obras de 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

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

A computational study on the stacking interaction in quinhydrone.

A density functional theory study on pelargonidin.

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

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

Characterization of pericyclic reactions using multicenter electron delocalization analysis.

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

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

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

Computational study on the stacking interaction in catechol complexes.

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

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)

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

Effects of Axial Coordination on Immobilized Mn(salen) Catalysts

Electron density analysis on the protonation of nitriles

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

Electronic interpretation of conformational preferences in benzyl derivatives and related compounds

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

Hartree-Fock energy partitioning in terms of Hirshfeld atoms

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

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

Influence of the solvent on the charge distribution of anomeric compounds

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

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

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

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

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

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

On the electronic structure of cocaine and its metabolites.

Principal component analysis of Mn(salen) catalysts.

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

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

Revisiting Lewis dot structure weightings: a pair density perspective

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

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

Roots of Acetate-Vanadium Linkage Isomerism: A QTAIM Study

Synthesis and structural study of pyrimidyl carbocyclic analogues of nucleosides based on cyclopentene rings.

Theoretical study of the electronic structure of CnS (n=1-6) thiocumulenes