1. Barcelona Supercomputing Center

Browsing by Author Garcia, Ricardo

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Showing results 1 to 10 of 10
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Jan-2023AA_Pt4_CH2OGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:34:00) complexGeometry optimizationDFT--634.61414291; eV
thumbnail.jpeg5-Jan-2023AA_Pt4_CH2OHGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:34:00) complexGeometry optimizationDFT--638.33227983; eV
thumbnail.jpeg5-Jan-2023AA_Pt4_CH3OGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complexSingle pointDFT--638.23657044; eV
thumbnail.jpeg5-Jan-2023AA_Pt4_CH3OHGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complexGeometry optimizationDFT--641.75138893; eV
thumbnail.jpeg5-Jan-2023AA_Pt4_CHOGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 02 2017 14:43:08) complexGeometry optimizationDFT--631.04883030; eV
thumbnail.jpeg5-Jan-2023AA_Pt4_CHOHGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 01 2022 17:30:49) complexSingle pointDFT--632.40502497; eV
thumbnail.jpeg5-Jan-2023AA_Pt4_COGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complexSingle pointDFT--627.56992917; eV
thumbnail.jpeg5-Jan-2023AA_Pt4_COHGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:34:00) complexGeometry optimizationDFT--630.38806979; eV
thumbnail.jpeg5-Jan-2023AA_Pt4_HGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complexGeometry optimizationDFT--614.35564304; eV
thumbnail.jpeg5-Jan-2023AA_Pt4_H2OGarcia, Ricardovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 01 2022 17:30:49) complexSingle pointDFT--625.34800100; eV
Showing results 1 to 10 of 10