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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Oct-20234f_valence,_3_te,_label_156Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.46505662; eV
thumbnail.jpeg23-Oct-20234f_valence,_3_te,_label_166Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.30549973; 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_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,_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_13Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-onlyGeometry optimizationDFT--701.34575120; 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,_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
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