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Showing results 193845 to 193864 of 317984 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_356Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--698.86982775; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_366Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--698.71887958; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_456Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--698.86664850; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_466Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--698.47080742; eV
thumbnail.jpeg23-Oct-20234f_core,_3_te,_label_566Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-onlyGeometry optimizationDFT--698.87110623; eV
thumbnail.jpeg23-Oct-20234f_valence,_1_te,_label_4Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.14461262; eV
thumbnail.jpeg23-Oct-20234f_valence,_1_te,_label_5Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-onlyGeometry optimizationDFT--701.24502744; eV
thumbnail.jpeg23-Oct-20234f_valence,_1_te,_label_6Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-onlyGeometry optimizationDFT--701.15963474; eV
thumbnail.jpeg23-Oct-20234f_valence,_2_te,_label_12Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.29037900; eV
thumbnail.jpeg23-Oct-20234f_valence,_2_te,_label_13Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.34575120; eV
thumbnail.jpeg23-Oct-20234f_valence,_2_te,_label_14Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.30973504; eV
thumbnail.jpeg23-Oct-20234f_valence,_2_te,_label_15Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.43638573; eV
thumbnail.jpeg23-Oct-20234f_valence,_2_te,_label_16Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.35920107; eV
thumbnail.jpeg23-Oct-20234f_valence,_3_te,_label_122Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.34639468; eV
thumbnail.jpeg23-Oct-20234f_valence,_3_te,_label_123Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.33363164; eV
thumbnail.jpeg23-Oct-20234f_valence,_3_te,_label_125Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.47259087; eV
thumbnail.jpeg23-Oct-20234f_valence,_3_te,_label_126Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.37269777; eV
thumbnail.jpeg23-Oct-20234f_valence,_3_te,_label_133Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.31606258; eV
thumbnail.jpeg23-Oct-20234f_valence,_3_te,_label_134Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.24767030; eV
thumbnail.jpeg23-Oct-20234f_valence,_3_te,_label_135Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.44477388; eV