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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_14Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.86572130; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_16Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.89476195; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_22Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.73065003; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_23Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.74331946; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_24Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.69539366; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_25Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.90638231; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_26Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.77013186; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_33Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.67706154; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_34Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.65448970; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_35Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.86518905; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_36Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.71705459; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_45Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.92782527; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_46Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.70266175; eV
thumbnail.jpeg23-Oct-20234f_core,_2_te,_label_66Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.72619942; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_122Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.08467239; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_123Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.11988577; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_124Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.01647890; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_125Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.28512744; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_126Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.13252476; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_133Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--699.06396752; eV