<?xml version="1.0" encoding="utf-8" standalone="yes"?><rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom"><channel><title>M. A. Blanco | QTCOVI – Theoretical and Computational Chemistry</title><link>https://qtcovi.github.io/author/m.-a.-blanco/</link><atom:link href="https://qtcovi.github.io/author/m.-a.-blanco/index.xml" rel="self" type="application/rss+xml"/><description>M. A. Blanco</description><generator>Hugo Blox Builder (https://hugoblox.com)</generator><language>en-us</language><lastBuildDate>Sat, 01 Jan 2011 00:00:00 +0000</lastBuildDate><image><url>https://qtcovi.github.io/media/icon_hu11734318148517933569.png</url><title>M. A. Blanco</title><link>https://qtcovi.github.io/author/m.-a.-blanco/</link></image><item><title>Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls</title><link>https://qtcovi.github.io/publication/2011-restoring-orbital-thinking-from-real-space-descriptions-bonding-in-classical-and/</link><pubDate>Sat, 01 Jan 2011 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2011-restoring-orbital-thinking-from-real-space-descriptions-bonding-in-classical-and/</guid><description/></item><item><title>Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective</title><link>https://qtcovi.github.io/publication/2010-bonding-in-classical-and-nonclassical-transition-metal-carbonyls-the-interacting/</link><pubDate>Fri, 01 Jan 2010 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2010-bonding-in-classical-and-nonclassical-transition-metal-carbonyls-the-interacting/</guid><description/></item><item><title>Convergence of the multipole expansion for 1,2 Coulomb interactions: The modified multipole shifting algorithm</title><link>https://qtcovi.github.io/publication/2010-convergence-of-the-multipole-expansion-for-1-2-coulomb-interactions-the-modified/</link><pubDate>Fri, 01 Jan 2010 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2010-convergence-of-the-multipole-expansion-for-1-2-coulomb-interactions-the-modified/</guid><description/></item><item><title>A connection between domain-averaged Fermi hole orbitals and electron number distribution functions in real space</title><link>https://qtcovi.github.io/publication/2009-a-connection-between-domain-averaged-fermi-hole-orbitals-and-electron-number-dis/</link><pubDate>Thu, 01 Jan 2009 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2009-a-connection-between-domain-averaged-fermi-hole-orbitals-and-electron-number-dis/</guid><description/></item><item><title>Steric Repulsions, Rotation Barriers, and Stereoelectronic Effects: A Real Space Perspective</title><link>https://qtcovi.github.io/publication/2009-steric-repulsions-rotation-barriers-and-stereoelectronic-effects-a-real-space-pe/</link><pubDate>Thu, 01 Jan 2009 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2009-steric-repulsions-rotation-barriers-and-stereoelectronic-effects-a-real-space-pe/</guid><description/></item><item><title>Using Pseudopotentials within the Interacting Quantum Atoms Approach</title><link>https://qtcovi.github.io/publication/2009-using-pseudopotentials-within-the-interacting-quantum-atoms-approach/</link><pubDate>Thu, 01 Jan 2009 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2009-using-pseudopotentials-within-the-interacting-quantum-atoms-approach/</guid><description/></item><item><title>Charge transfer, chemical potentials, and the nature of functional groups: answers from quantum chemical topology</title><link>https://qtcovi.github.io/publication/2007-charge-transfer-chemical-potentials-and-the-nature-of-functional-groups-answers-/</link><pubDate>Mon, 01 Jan 2007 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2007-charge-transfer-chemical-potentials-and-the-nature-of-functional-groups-answers-/</guid><description/></item><item><title>Comparison of direct and flow integration based charge density population analyses</title><link>https://qtcovi.github.io/publication/2007-comparison-of-direct-and-flow-integration-based-charge-density-population-analys/</link><pubDate>Mon, 01 Jan 2007 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2007-comparison-of-direct-and-flow-integration-based-charge-density-population-analys/</guid><description/></item><item><title>Electron number probability distributions for correlated wave functions</title><link>https://qtcovi.github.io/publication/2007-electron-number-probability-distributions-for-correlated-wave-functions/</link><pubDate>Mon, 01 Jan 2007 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2007-electron-number-probability-distributions-for-correlated-wave-functions/</guid><description/></item><item><title>Pauling Resonant Structures in Real Space through Electron Number Probability Distributions</title><link>https://qtcovi.github.io/publication/2007-pauling-resonant-structures-in-real-space-through-electron-number-probability-di/</link><pubDate>Mon, 01 Jan 2007 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2007-pauling-resonant-structures-in-real-space-through-electron-number-probability-di/</guid><description/></item><item><title>Spin resolved electron number distribution functions: How spins couple in real space</title><link>https://qtcovi.github.io/publication/2007-spin-resolved-electron-number-distribution-functions-how-spins-couple-in-real-sp/</link><pubDate>Mon, 01 Jan 2007 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2007-spin-resolved-electron-number-distribution-functions-how-spins-couple-in-real-sp/</guid><description/></item><item><title>A Molecular Energy Decomposition Scheme for Atoms in Molecules</title><link>https://qtcovi.github.io/publication/2006-a-molecular-energy-decomposition-scheme-for-atoms-in-molecules/</link><pubDate>Sun, 01 Jan 2006 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2006-a-molecular-energy-decomposition-scheme-for-atoms-in-molecules/</guid><description/></item><item><title>Binding Energies of First Row Diatomics in the Light of the Interacting Quantum Atoms Approach</title><link>https://qtcovi.github.io/publication/2006-binding-energies-of-first-row-diatomics-in-the-light-of-the-interacting-quantum-/</link><pubDate>Sun, 01 Jan 2006 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2006-binding-energies-of-first-row-diatomics-in-the-light-of-the-interacting-quantum-/</guid><description/></item><item><title>Chemical fragments in real space: Definitions, properties, and energetic decompositions</title><link>https://qtcovi.github.io/publication/2006-chemical-fragments-in-real-space-definitions-properties-and-energetic-decomposit/</link><pubDate>Sun, 01 Jan 2006 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2006-chemical-fragments-in-real-space-definitions-properties-and-energetic-decomposit/</guid><description/></item><item><title>First Principles Study of Neutral and Anionic (Medium-Size) Aluminum Nitride Clusters: AlnNn, n = 7—16.</title><link>https://qtcovi.github.io/publication/2006-first-principles-study-of-neutral-and-anionic-medium-size-aluminum-nitride-clust/</link><pubDate>Sun, 01 Jan 2006 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2006-first-principles-study-of-neutral-and-anionic-medium-size-aluminum-nitride-clust/</guid><description/></item><item><title>Evolution of the properties of AlnNn clusters with size</title><link>https://qtcovi.github.io/publication/2005-evolution-of-the-properties-of-alnnn-clusters-with-size/</link><pubDate>Sat, 01 Jan 2005 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2005-evolution-of-the-properties-of-alnnn-clusters-with-size/</guid><description/></item><item><title>Global optimization of ionic MgnF2n (n=1–30) clusters</title><link>https://qtcovi.github.io/publication/2005-global-optimization-of-ionic-mgnf2n-n-1-30-clusters/</link><pubDate>Sat, 01 Jan 2005 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2005-global-optimization-of-ionic-mgnf2n-n-1-30-clusters/</guid><description/></item><item><title>Two-electron integrations in the Quantum Theory of Atoms in Molecules with correlated wave functions</title><link>https://qtcovi.github.io/publication/2005-two-electron-integrations-in-the-quantum-theory-of-atoms-in-molecules-with-corre/</link><pubDate>Sat, 01 Jan 2005 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2005-two-electron-integrations-in-the-quantum-theory-of-atoms-in-molecules-with-corre/</guid><description/></item><item><title>Two-electron integrations in the quantum theory of atoms in molecules.</title><link>https://qtcovi.github.io/publication/2004-two-electron-integrations-in-the-quantum-theory-of-atoms-in-molecules/</link><pubDate>Thu, 01 Jan 2004 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2004-two-electron-integrations-in-the-quantum-theory-of-atoms-in-molecules/</guid><description/></item><item><title>Universal Features of the Topological Bond Properties of the Electron Density</title><link>https://qtcovi.github.io/publication/2004-universal-features-of-the-topological-bond-properties-of-the-electron-density/</link><pubDate>Thu, 01 Jan 2004 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2004-universal-features-of-the-topological-bond-properties-of-the-electron-density/</guid><description/></item><item><title>Non-nuclear maxima of the electron density on alkaline metals</title><link>https://qtcovi.github.io/publication/2003-non-nuclear-maxima-of-the-electron-density-on-alkaline-metals/</link><pubDate>Wed, 01 Jan 2003 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2003-non-nuclear-maxima-of-the-electron-density-on-alkaline-metals/</guid><description/></item><item><title>First-principles study of the rocksalt–cesium chloride relative phase stability in alkali halides</title><link>https://qtcovi.github.io/publication/2002-first-principles-study-of-the-rocksalt-cesium-chloride-relative-phase-stability-/</link><pubDate>Tue, 01 Jan 2002 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2002-first-principles-study-of-the-rocksalt-cesium-chloride-relative-phase-stability-/</guid><description/></item><item><title>Microscopic Study of the Rock Salt-Caesium Chloride Phase Stability in Alkali Halides</title><link>https://qtcovi.github.io/publication/2002-microscopic-study-of-the-rock-salt-caesium-chloride-phase-stability-in-alkali-ha/</link><pubDate>Tue, 01 Jan 2002 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2002-microscopic-study-of-the-rock-salt-caesium-chloride-phase-stability-in-alkali-ha/</guid><description/></item><item><title>Atomistic simulation of SrF2 polymorphs</title><link>https://qtcovi.github.io/publication/2001-atomistic-simulation-of-srf2-polymorphs/</link><pubDate>Mon, 01 Jan 2001 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2001-atomistic-simulation-of-srf2-polymorphs/</guid><description/></item><item><title>Practical embedding for ionic materials: Crystal-adapted pseudopotentials for the MgO crystal</title><link>https://qtcovi.github.io/publication/2001-practical-embedding-for-ionic-materials-crystal-adapted-pseudopotentials-for-the/</link><pubDate>Mon, 01 Jan 2001 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2001-practical-embedding-for-ionic-materials-crystal-adapted-pseudopotentials-for-the/</guid><description/></item><item><title>Theoretical explanation of the uniform compressibility behavior observed in oxide spinels</title><link>https://qtcovi.github.io/publication/2001-theoretical-explanation-of-the-uniform-compressibility-behavior-observed-in-oxid/</link><pubDate>Mon, 01 Jan 2001 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2001-theoretical-explanation-of-the-uniform-compressibility-behavior-observed-in-oxid/</guid><description/></item><item><title>First principles study of polyatomic clusters of AlN, GaN, and InN. 1. Structure, stability, vibrations, and ionization</title><link>https://qtcovi.github.io/publication/2000-first-principles-study-of-polyatomic-clusters-of-aln-gan-and-inn-1-structure-sta/</link><pubDate>Sat, 01 Jan 2000 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2000-first-principles-study-of-polyatomic-clusters-of-aln-gan-and-inn-1-structure-sta/</guid><description/></item><item><title>First principles study of polyatomic clusters of AlN, GaN, and InN. 2. Chemical bonding</title><link>https://qtcovi.github.io/publication/2000-first-principles-study-of-polyatomic-clusters-of-aln-gan-and-inn-2-chemical-bond/</link><pubDate>Sat, 01 Jan 2000 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2000-first-principles-study-of-polyatomic-clusters-of-aln-gan-and-inn-2-chemical-bond/</guid><description/></item><item><title>Ions in crystals: The topology of the electron density in ionic materials. V. The B1-B2 phase transition in alkali halides</title><link>https://qtcovi.github.io/publication/2000-ions-in-crystals-the-topology-of-the-electron-density-in-ionic-materials-v-the-b/</link><pubDate>Sat, 01 Jan 2000 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2000-ions-in-crystals-the-topology-of-the-electron-density-in-ionic-materials-v-the-b/</guid><description/></item><item><title>Local compressibilities in crystals</title><link>https://qtcovi.github.io/publication/2000-local-compressibilities-in-crystals/</link><pubDate>Sat, 01 Jan 2000 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2000-local-compressibilities-in-crystals/</guid><description/></item><item><title>Theoretical characterization of the high-pressure phases of PbF2</title><link>https://qtcovi.github.io/publication/2000-theoretical-characterization-of-the-high-pressure-phases-of-pbf2/</link><pubDate>Sat, 01 Jan 2000 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2000-theoretical-characterization-of-the-high-pressure-phases-of-pbf2/</guid><description/></item><item><title>Non-nuclear Maxima of the Electron Density</title><link>https://qtcovi.github.io/publication/1999-non-nuclear-maxima-of-the-electron-density/</link><pubDate>Fri, 01 Jan 1999 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1999-non-nuclear-maxima-of-the-electron-density/</guid><description/></item><item><title>Derivation of electron-gas interatomic potentials from quantum-mechanical descriptions of ions in crystals</title><link>https://qtcovi.github.io/publication/1995-derivation-of-electron-gas-interatomic-potentials-from-quantum-mechanical-descri/</link><pubDate>Sun, 01 Jan 1995 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1995-derivation-of-electron-gas-interatomic-potentials-from-quantum-mechanical-descri/</guid><description/></item><item><title>Effects of a quantum crystal potential on the derivation of electron gas interionic energies</title><link>https://qtcovi.github.io/publication/1995-effects-of-a-quantum-crystal-potential-on-the-derivation-of-electron-gas-interio/</link><pubDate>Sun, 01 Jan 1995 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1995-effects-of-a-quantum-crystal-potential-on-the-derivation-of-electron-gas-interio/</guid><description/></item><item><title>Modeling the O 2 − - O 2 − interaction for atomistic simulations</title><link>https://qtcovi.github.io/publication/1995-modeling-the-o-2-o-2-interaction-for-atomistic-simulations/</link><pubDate>Sun, 01 Jan 1995 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1995-modeling-the-o-2-o-2-interaction-for-atomistic-simulations/</guid><description/></item><item><title>Stability of B1 and B2 phases from electronic density topology considerations</title><link>https://qtcovi.github.io/publication/1995-stability-of-b1-and-b2-phases-from-electronic-density-topology-considerations/</link><pubDate>Sun, 01 Jan 1995 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1995-stability-of-b1-and-b2-phases-from-electronic-density-topology-considerations/</guid><description/></item><item><title>Static simulations of Cu + centers in alkali halides</title><link>https://qtcovi.github.io/publication/1995-static-simulations-of-cu-centers-in-alkali-halides/</link><pubDate>Sun, 01 Jan 1995 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1995-static-simulations-of-cu-centers-in-alkali-halides/</guid><description/></item><item><title>Pressure-induced B1-B2 phase transition in alkali halides: General aspects from first-principles calculations.</title><link>https://qtcovi.github.io/publication/1994-pressure-induced-b1-b2-phase-transition-in-alkali-halides-general-aspects-from-f/</link><pubDate>Sat, 01 Jan 1994 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1994-pressure-induced-b1-b2-phase-transition-in-alkali-halides-general-aspects-from-f/</guid><description/></item></channel></rss>