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Showing results 21 to 40 of 60 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Oct-2022pt3o6_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--45.41246645; eV
thumbnail.jpeg12-Oct-2022pt6o0_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1160.43908509; eV
thumbnail.jpeg12-Oct-2022pt6o0_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--808.08950880; eV
thumbnail.jpeg12-Oct-2022pt6o0_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--21.94000032; eV
thumbnail.jpeg12-Oct-2022pt6o10_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1255.64299563; eV
thumbnail.jpeg12-Oct-2022pt6o10_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--869.26356145; eV
thumbnail.jpeg12-Oct-2022pt6o10_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--84.06070455; eV
thumbnail.jpeg12-Oct-2022pt6o11_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1263.78051385; eV
thumbnail.jpeg12-Oct-2022pt6o11_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--874.24630665; eV
thumbnail.jpeg12-Oct-2022pt6o11_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--88.66521482; eV
thumbnail.jpeg12-Oct-2022pt6o12_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1270.96740204; eV
thumbnail.jpeg12-Oct-2022pt6o12_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--878.00921560; eV
thumbnail.jpeg12-Oct-2022pt6o12_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--95.47086825; eV
thumbnail.jpeg12-Oct-2022pt6o1_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1170.37757819; eV
thumbnail.jpeg12-Oct-2022pt6o1_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--814.59859101; eV
thumbnail.jpeg12-Oct-2022pt6o1_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--29.18441567; eV
thumbnail.jpeg12-Oct-2022pt6o2_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1180.76615707; eV
thumbnail.jpeg12-Oct-2022pt6o2_supported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--821.85466549; eV
thumbnail.jpeg12-Oct-2022pt6o2_unsupported_PW91Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--36.45206515; eV
thumbnail.jpeg12-Oct-2022pt6o3_supported_HSE06Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1190.68538840; eV
Showing results 21 to 40 of 60 < previous   next >