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Showing results 192855 to 192874 of 317980 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Dec-20212Laconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
Login required23-Jan-20242Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-989.014124461; Eh
Login required26-Mar-20242von Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumRB97DDEF2TZVP DEF2TZVP/W06-12609.4621786; Eh
thumbnail.jpeg9-Jan-20242Kiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGEN-363.8378393; Eh
thumbnail.jpeg9-Jan-20242Kiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-363.851253208; Eh
Login required3-Feb-20242Barroso, JorgeGaussian; 16; EM64L-G16RevA.03Geometry optimization TSRTPSSTPSSDEF2SVP-2641.09638567; Eh
Login required21-Apr-20242von Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-1980.98900423; Eh
thumbnail.jpeg26-Sep-2023(2,0,1)_2Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--942.03042972; eV
thumbnail.jpeg26-Sep-2023(2,0,1)_3Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--943.48473298; eV
thumbnail.jpeg26-Sep-2023(2,0,3)_1Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--824.23045481; eV
thumbnail.jpeg26-Sep-2023(2,1,0)_1Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--848.51866247; eV
thumbnail.jpeg26-Sep-2023(2,1,1)_1Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--834.72341999; eV
thumbnail.jpeg26-Sep-2023(2,1,2)_2Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--755.21891165; eV
thumbnail.jpeg26-Sep-2023(2,2,1)_1Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--937.09307510; eV
thumbnail.jpeg26-Sep-2023(2,3,2)_1Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--1324.23013757; eV
thumbnail.jpeg26-Sep-2023(2,3,3)_3Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--1416.23557543; eV
thumbnail.jpeg13-Jul-20232-B10Br9(CO)_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23530.8124895; Eh
thumbnail.jpeg13-Jul-20232-B10Br9(H2O)_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23493.9116862; Eh
thumbnail.jpeg13-Jul-20232-B10Br9(OC)_(-)Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23530.7471759; Eh
thumbnail.jpeg13-Jul-20232-B10Br9_(-)_Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23417.3550838; Eh
Showing results 192855 to 192874 of 317980 < previous   next >