<?xml version="1.0" encoding="utf-8" standalone="yes"?><rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom"><channel><title>V. Luaña | QTCOVI – Theoretical and Computational Chemistry</title><link>https://qtcovi.github.io/author/v.-luana/</link><atom:link href="https://qtcovi.github.io/author/v.-luana/index.xml" rel="self" type="application/rss+xml"/><description>V. Luaña</description><generator>Hugo Blox Builder (https://hugoblox.com)</generator><language>en-us</language><lastBuildDate>Thu, 01 Jan 2004 00:00:00 +0000</lastBuildDate><image><url>https://qtcovi.github.io/media/icon_hu11734318148517933569.png</url><title>V. Luaña</title><link>https://qtcovi.github.io/author/v.-luana/</link></image><item><title>GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model</title><link>https://qtcovi.github.io/publication/2004-gibbs-isothermal-isobaric-thermodynamics-of-solids-from-energy-curves-using-a-qu/</link><pubDate>Thu, 01 Jan 2004 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2004-gibbs-isothermal-isobaric-thermodynamics-of-solids-from-energy-curves-using-a-qu/</guid><description/></item><item><title>Hirshfeld surfaces as approximations to interatomic surfaces</title><link>https://qtcovi.github.io/publication/2002-hirshfeld-surfaces-as-approximations-to-interatomic-surfaces/</link><pubDate>Tue, 01 Jan 2002 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/2002-hirshfeld-surfaces-as-approximations-to-interatomic-surfaces/</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>Strategies for determining and using ab initio interionic potentials</title><link>https://qtcovi.github.io/publication/1999-strategies-for-determining-and-using-ab-initio-interionic-potentials/</link><pubDate>Fri, 01 Jan 1999 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1999-strategies-for-determining-and-using-ab-initio-interionic-potentials/</guid><description/></item><item><title>Universal-binding-energy relations across the rock-salt–cesium chloride phase transition in alkali halides</title><link>https://qtcovi.github.io/publication/1997-universal-binding-energy-relations-across-the-rock-salt-cesium-chloride-phase-tr/</link><pubDate>Wed, 01 Jan 1997 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1997-universal-binding-energy-relations-across-the-rock-salt-cesium-chloride-phase-tr/</guid><description/></item><item><title>Energetics of the RbF+CaF2->RbCaF3 solid state reaction: A first-principles study</title><link>https://qtcovi.github.io/publication/1995-energetics-of-the-rbf-caf2-rbcaf3-solid-state-reaction-a-first-principles-study/</link><pubDate>Sun, 01 Jan 1995 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1995-energetics-of-the-rbf-caf2-rbcaf3-solid-state-reaction-a-first-principles-study/</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>Theoretical study of the coordination of the Cr3+ ion in alpha-Al2O3</title><link>https://qtcovi.github.io/publication/1995-theoretical-study-of-the-coordination-of-the-cr3-ion-in-alpha-al2o3/</link><pubDate>Sun, 01 Jan 1995 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1995-theoretical-study-of-the-coordination-of-the-cr3-ion-in-alpha-al2o3/</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><item><title>LOCAL WAVE-FUNCTIONS FOR MULTINEGATIVE IONS IN SOLIDS</title><link>https://qtcovi.github.io/publication/1991-local-wave-functions-for-multinegative-ions-in-solids/</link><pubDate>Tue, 01 Jan 1991 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1991-local-wave-functions-for-multinegative-ions-in-solids/</guid><description/></item><item><title>THEORETICAL D-D SPECTRUM OF CR3+MGO</title><link>https://qtcovi.github.io/publication/1991-theoretical-d-d-spectrum-of-cr3-mgo/</link><pubDate>Tue, 01 Jan 1991 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1991-theoretical-d-d-spectrum-of-cr3-mgo/</guid><description/></item><item><title>CORE PROJECTION EFFECTS IN NEAR-ABINITIO VALENCE CALCULATIONS .2. GROUND-STATE GEOMETRY OF OCTAHEDRAL CHROMIUM (CHROMIUM-I, CHROMIUM-II, CHROMIUM-III, AND CHROMIUM-IV) HEXAFLUORIDES</title><link>https://qtcovi.github.io/publication/1987-core-projection-effects-in-near-abinitio-valence-calculations-2-ground-state-geo/</link><pubDate>Thu, 01 Jan 1987 00:00:00 +0000</pubDate><guid>https://qtcovi.github.io/publication/1987-core-projection-effects-in-near-abinitio-valence-calculations-2-ground-state-geo/</guid><description/></item></channel></rss>