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Browsing by Author Amaya Suárez, Javier

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Showing results 1 to 20 of 42  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Oct-2019AgBr(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexGeometry optimizationDFT--57.88013334; eV
thumbnail.jpeg7-Oct-2019AgBr(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--151.51765173; eV
thumbnail.jpeg7-Oct-2019AgCl(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexGeometry optimizationDFT--60.85230578; eV
thumbnail.jpeg7-Oct-2019BaO(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--108.20897048; eV
thumbnail.jpeg7-Oct-2019BeO(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--323.47067175; eV
thumbnail.jpeg7-Oct-2019CaF2(100)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--139.14574471; eV
thumbnail.jpeg7-Oct-2019CaS(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--98.49976087; eV
thumbnail.jpeg7-Oct-2019CaSe(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--92.73192752; eV
thumbnail.jpeg7-Oct-2019CdF2(100)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--99.70601970; eV
thumbnail.jpeg7-Oct-2019CdS(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2019 13:00:52) complexSingle pointDFT--176.12822419; eV
thumbnail.jpeg7-Oct-2019Cu2S(100)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--86.01617048; eV
thumbnail.jpeg7-Oct-2019GaAs(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--199.73350069; eV
thumbnail.jpeg7-Oct-2019Ge(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--211.40688779; eV
thumbnail.jpeg7-Oct-2019GeSe(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Nov 04 2017 10:34:10) complexSingle pointDFT--87.08272717; eV
thumbnail.jpeg7-Oct-2019HgF2(100)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--84.13509781; eV
thumbnail.jpeg7-Oct-2019KF(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--86.48133357; eV
thumbnail.jpeg7-Oct-2019KH(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--66.10552469; eV
thumbnail.jpeg7-Oct-2019LaN(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--349.99020092; eV
thumbnail.jpeg7-Oct-2019LaS(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--113.93872096; eV
thumbnail.jpeg7-Oct-2019LaS(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--260.45416298; eV
Showing results 1 to 20 of 42  next >