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Browsing by Subject Global optimization

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Showing results 41 to 60 of 60 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Oct-2022pt6o3_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--828.28859157; eV
thumbnail.jpeg12-Oct-2022pt6o3_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--42.95927601; eV
thumbnail.jpeg12-Oct-2022pt6o4_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1200.83745796; eV
thumbnail.jpeg12-Oct-2022pt6o4_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--835.00236812; eV
thumbnail.jpeg12-Oct-2022pt6o4_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--49.69488657; eV
thumbnail.jpeg12-Oct-2022pt6o5_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1210.29028714; eV
thumbnail.jpeg12-Oct-2022pt6o5_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--840.88407106; eV
thumbnail.jpeg12-Oct-2022pt6o5_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--57.59611744; eV
thumbnail.jpeg12-Oct-2022pt6o6_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1219.28072561; eV
thumbnail.jpeg12-Oct-2022pt6o6_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--846.31800057; eV
thumbnail.jpeg12-Oct-2022pt6o6_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--63.89320179; eV
thumbnail.jpeg12-Oct-2022pt6o7_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1229.08904391; eV
thumbnail.jpeg12-Oct-2022pt6o7_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--852.28850065; eV
thumbnail.jpeg12-Oct-2022pt6o7_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--68.69325179; eV
thumbnail.jpeg12-Oct-2022pt6o8_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1238.00466770; eV
thumbnail.jpeg12-Oct-2022pt6o8_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--857.66286359; eV
thumbnail.jpeg12-Oct-2022pt6o8_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--73.94860939; eV
thumbnail.jpeg12-Oct-2022pt6o9_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1247.98816354; eV
thumbnail.jpeg12-Oct-2022pt6o9_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--865.01158242; eV
thumbnail.jpeg12-Oct-2022pt6o9_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--78.28550556; eV
Showing results 41 to 60 of 60 < previous