Lista de obras - Alex Borgoo - Dominio Público Uruguay

Alternative Kullback-Leibler information entropy for enantiomers

artículo científico publicado en 2010

Analyzing Kullback-Leibler information profiles: an indication of their chemical relevance

artículo científico publicado en 2008

Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contribution.

artículo científico publicado en 2014

Computing Fukui functions without differentiating with respect to electron number. I. Fundamentals

artículo científico publicado en 2007

Confinement effects on excitation energies and regioselectivity as probed by the Fukui function and the molecular electrostatic potential.

artículo científico publicado en 2009

Density Scaling of Noninteracting Kinetic Energy Functionals

artículo científico publicado en 2013

Effective homogeneity of the exchange–correlation and non-interacting kinetic energy functionals under density scaling ⬇️

artículo científico publicado el 21 de enero de 2012

Influence of confinement on atomic and molecular reactivity indicators in DFT

artículo científico publicado en 2008

Information carriers and (reading them through) information theory in quantum chemistry.

artículo científico publicado en 2010

Information theoretical study of chirality: enantiomers with one and two asymmetric centra.

artículo científico publicado en 2008

Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection.

artículo científico publicado en 2017

Molecular Binding in Post-Kohn-Sham Orbital-Free DFT.

artículo científico publicado en 2014

Negative Electron Affinities from DFT: Influence of Asymptotic Exchange-Correlation Potential and Effective Homogeneity under Density Scaling ⬇️

artículo científico publicado el 23 de mayo de 2012

Quantum similarity study of atomic density functions: insights from information theory and the role of relativistic effects

artículo científico publicado en 2007

Quantum similarity study of atoms: a bridge between hardness and similarity indices

scientific article published on 01 June 2007

Revisiting the density scaling of the non-interacting kinetic energy

artículo científico publicado en 2014

The importance of current contributions to shielding constants in density-functional theory

artículo científico publicado en 2015

Lista de obras de Alex Borgoo

Alternative Kullback-Leibler information entropy for enantiomers

Analyzing Kullback-Leibler information profiles: an indication of their chemical relevance

Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contribution.

Computing Fukui functions without differentiating with respect to electron number. I. Fundamentals

Confinement effects on excitation energies and regioselectivity as probed by the Fukui function and the molecular electrostatic potential.

Density Scaling of Noninteracting Kinetic Energy Functionals

Effective homogeneity of the exchange–correlation and non-interacting kinetic energy functionals under density scaling ⬇️

Influence of confinement on atomic and molecular reactivity indicators in DFT

Information carriers and (reading them through) information theory in quantum chemistry.

Information theoretical study of chirality: enantiomers with one and two asymmetric centra.

Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection.

Molecular Binding in Post-Kohn-Sham Orbital-Free DFT.

Negative Electron Affinities from DFT: Influence of Asymptotic Exchange-Correlation Potential and Effective Homogeneity under Density Scaling ⬇️

Quantum similarity study of atomic density functions: insights from information theory and the role of relativistic effects

Quantum similarity study of atoms: a bridge between hardness and similarity indices

Revisiting the density scaling of the non-interacting kinetic energy

The importance of current contributions to shielding constants in density-functional theory