1. Barcelona Supercomputing Center

Browsing by Author Ortuño Maqueda, Manuel Angel

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 180 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Mar-2022/Co_hcp Co-1-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--689.95787936; eV
thumbnail.jpeg30-Mar-2022/Co_hcp Co-4-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--702.84265163; eV
thumbnail.jpeg30-Mar-2022/Co_hcp Co-5-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--706.59629783; eV
thumbnail.jpeg30-Mar-2022/Co_hcp Co_hcpOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--685.68503595; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FAL-flat-0-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--767.22654474; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FAL-flat-1-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--771.63321879; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FAL-flat-4-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--783.93315821; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FAL-flat-5-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--786.97075994; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FAL-tilt-0-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--766.32546224; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FAL-tilt-1-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--770.65316531; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FAL-tilt-4-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--783.53869106; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FAL-tilt-5-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--787.51901302; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FUR-flat-0-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--759.88701497; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FUR-flat-1-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--764.20976870; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FUR-flat-4-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--776.15255140; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FUR-flat-5-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--779.17462209; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FUR-tilt-0-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--758.70293776; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FUR-tilt-1-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--763.03694260; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FUR-tilt-4-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--775.92004965; eV
thumbnail.jpeg30-Mar-2022/Co_hcp FUR-tilt-5-ClOrtuño Maqueda, Manuel Angelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complexGeometry optimizationDFT--779.94309497; eV
Showing results 21 to 40 of 180 < previous   next >