A. Costales | QTCOVI – Theoretical and Computational Chemistryhttps://qtcovi.github.io/author/a.-costales/A. CostalesHugo Blox Builder (https://hugoblox.com)en-usFri, 01 Jan 2016 00:00:00 +0000https://qtcovi.github.io/media/icon_hu11734318148517933569.pngA. Costaleshttps://qtcovi.github.io/author/a.-costales/Emergent Scalar and Vector Fields in Quantum Chemical Topologyhttps://qtcovi.github.io/publication/2016-emergent-scalar-and-vector-fields-in-quantum-chemical-topology/Fri, 01 Jan 2016 00:00:00 +0000https://qtcovi.github.io/publication/2016-emergent-scalar-and-vector-fields-in-quantum-chemical-topology/Correction to “Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Molecules”https://qtcovi.github.io/publication/2012-correction-to-performance-of-the-density-matrix-functional-theory-in-the-quantum/Sun, 01 Jan 2012 00:00:00 +0000https://qtcovi.github.io/publication/2012-correction-to-performance-of-the-density-matrix-functional-theory-in-the-quantum/Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Moleculeshttps://qtcovi.github.io/publication/2012-performance-of-the-density-matrix-functional-theory-in-the-quantum-theory-of-ato/Sun, 01 Jan 2012 00:00:00 +0000https://qtcovi.github.io/publication/2012-performance-of-the-density-matrix-functional-theory-in-the-quantum-theory-of-ato/ChemInform Abstract: Structure and Bonding in Magnesium Difluoride Clusters: The MgF2 Moleculehttps://qtcovi.github.io/publication/2010-cheminform-abstract-structure-and-bonding-in-magnesium-difluoride-clusters-the-m/Fri, 01 Jan 2010 00:00:00 +0000https://qtcovi.github.io/publication/2010-cheminform-abstract-structure-and-bonding-in-magnesium-difluoride-clusters-the-m/Comparison of direct and flow integration based charge density population analyseshttps://qtcovi.github.io/publication/2007-comparison-of-direct-and-flow-integration-based-charge-density-population-analys/Mon, 01 Jan 2007 00:00:00 +0000https://qtcovi.github.io/publication/2007-comparison-of-direct-and-flow-integration-based-charge-density-population-analys/ChemInform Abstract: Structure and Bonding in Magnesium Difluoride Clusters: The (MgF2)n (n = 2-3) Clustershttps://qtcovi.github.io/publication/2002-cheminform-abstract-structure-and-bonding-in-magnesium-difluoride-clusters-the-m/Tue, 01 Jan 2002 00:00:00 +0000https://qtcovi.github.io/publication/2002-cheminform-abstract-structure-and-bonding-in-magnesium-difluoride-clusters-the-m/Structure and Bonding in Magnesium Difluoride Clusters: The (MgF 2 ) n ( n = 2−3) Clustershttps://qtcovi.github.io/publication/2002-structure-and-bonding-in-magnesium-difluoride-clusters-the-mgf-2-n-n-2-3-cluster/Tue, 01 Jan 2002 00:00:00 +0000https://qtcovi.github.io/publication/2002-structure-and-bonding-in-magnesium-difluoride-clusters-the-mgf-2-n-n-2-3-cluster/Structure and Bonding in Magnesium Difluoride Clusters: The MgF 2 Moleculehttps://qtcovi.github.io/publication/2001-structure-and-bonding-in-magnesium-difluoride-clusters-the-mgf-2-molecule/Mon, 01 Jan 2001 00:00:00 +0000https://qtcovi.github.io/publication/2001-structure-and-bonding-in-magnesium-difluoride-clusters-the-mgf-2-molecule/Ions in crystals: The topology of the electron density in ionic materials. V. The B1-B2 phase transition in alkali halideshttps://qtcovi.github.io/publication/2000-ions-in-crystals-the-topology-of-the-electron-density-in-ionic-materials-v-the-b/Sat, 01 Jan 2000 00:00:00 +0000https://qtcovi.github.io/publication/2000-ions-in-crystals-the-topology-of-the-electron-density-in-ionic-materials-v-the-b/Transition path for the B3 reversible arrow B1 phase transformation in semiconductorshttps://qtcovi.github.io/publication/2000-transition-path-for-the-b3-reversible-arrow-b1-phase-transformation-in-semicondu/Sat, 01 Jan 2000 00:00:00 +0000https://qtcovi.github.io/publication/2000-transition-path-for-the-b3-reversible-arrow-b1-phase-transformation-in-semicondu/Strategies for determining and using ab initio interionic potentialshttps://qtcovi.github.io/publication/1999-strategies-for-determining-and-using-ab-initio-interionic-potentials/Fri, 01 Jan 1999 00:00:00 +0000https://qtcovi.github.io/publication/1999-strategies-for-determining-and-using-ab-initio-interionic-potentials/Atomistic calculations of dopant binding energies in ZnGeP<sub>2</sub>https://qtcovi.github.io/publication/1997-atomistic-calculations-of-dopant-binding-energies-in-zngep-sub-2-sub/Wed, 01 Jan 1997 00:00:00 +0000https://qtcovi.github.io/publication/1997-atomistic-calculations-of-dopant-binding-energies-in-zngep-sub-2-sub/