1. Barcelona Supercomputing Center

Browsing by Author Amaya Suárez, Javier

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 21 to 40 of 42 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Oct-2019Li2S(100)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--106.73120538; eV
thumbnail.jpeg7-Oct-2019LiBr(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexGeometry optimizationDFT--113.31674732; eV
thumbnail.jpeg7-Oct-2019LiF(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--337.70304478; eV
thumbnail.jpeg7-Oct-2019MgSe(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--80.94689632; eV
thumbnail.jpeg7-Oct-2019Na2O(100)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--102.46506733; eV
thumbnail.jpeg7-Oct-2019NaCl(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 15:02:45) complexGeometry optimizationDFT--77.17596360; eV
thumbnail.jpeg7-Oct-2019NbO2(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--243.84591762; eV
thumbnail.jpeg7-Oct-2019RbF(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--85.31615197; eV
thumbnail.jpeg7-Oct-2019RbF(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--205.10876665; eV
thumbnail.jpeg7-Oct-2019SnAs(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--86.07339761; eV
thumbnail.jpeg7-Oct-2019SnAs(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--206.46350340; eV
thumbnail.jpeg7-Oct-2019SnO2(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Nov 04 2017 10:34:10) complexSingle pointDFT--175.64671236; eV
thumbnail.jpeg7-Oct-2019SnS(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--87.87121175; eV
thumbnail.jpeg7-Oct-2019SnS(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--211.16904718; eV
thumbnail.jpeg7-Oct-2019SrF2(100)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--137.65158395; eV
thumbnail.jpeg7-Oct-2019TlF(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--81.87152635; eV
thumbnail.jpeg7-Oct-2019YAs(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--120.94528569; eV
thumbnail.jpeg7-Oct-2019YAs(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--273.28529870; eV
thumbnail.jpeg7-Oct-2019YSe(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--117.67338241; eV
thumbnail.jpeg7-Oct-2019YSe(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complexSingle pointDFT--269.54036273; eV
Showing results 21 to 40 of 42 < previous   next >