1. Barcelona Supercomputing Center

Browsing by Author Vidal López, Anna

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 1 to 20 of 75  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Aug-2021/CO2 1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--261.20756977; eV
thumbnail.jpeg27-Aug-2021/CO2 10Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--242.09870640; eV
thumbnail.jpeg27-Aug-2021/CO2 2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--262.56187274; eV
thumbnail.jpeg27-Aug-2021/CO2 3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--262.17108724; eV
thumbnail.jpeg27-Aug-2021/CO2 4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--269.37545501; eV
thumbnail.jpeg27-Aug-2021/CO2 5Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--269.50808277; eV
thumbnail.jpeg27-Aug-2021/CO2 6Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--269.44274924; eV
thumbnail.jpeg27-Aug-2021/CO2 7Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--271.05688163; eV
thumbnail.jpeg27-Aug-2021/CO2 8Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--270.98315417; eV
thumbnail.jpeg27-Aug-2021/CO2 9Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--270.74325297; eV
thumbnail.jpeg27-Aug-2021/CO2 TS1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--260.14116154; eV
thumbnail.jpeg27-Aug-2021/CO2 TS2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--262.02110382; eV
thumbnail.jpeg27-Aug-2021/CO2 TS3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--267.91240280; eV
thumbnail.jpeg27-Aug-2021/CO2 TS4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--269.37614408; eV
thumbnail.jpeg27-Aug-2021/CO2 TS5Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--269.06309969; eV
thumbnail.jpeg27-Aug-2021/CO2 TS6Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--270.13620324; eV
thumbnail.jpeg27-Aug-2021/CO2 TS7Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--270.39418574; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Cu111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--44.51172770; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Cu2O111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--240.31266293; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Model1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--206.83917673; eV
Showing results 1 to 20 of 75  next >