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Showing results 192865 to 192884 of 318057 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg13-Jul-20232-B10Br9Ar_(-)Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23944.9285470; Eh
thumbnail.jpeg13-Jul-20232-B10Br9He_(-)Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23420.2705115; Eh
thumbnail.jpeg13-Jul-20232-B10Br9Kr_(-)Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-26171.2114359; Eh
thumbnail.jpeg13-Jul-20232-B10Br9N2_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23526.9874325; Eh
thumbnail.jpeg13-Jul-20232-B10Br9Ne_(-)Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23546.3363855; Eh
thumbnail.jpeg13-Jul-20232-B10Br9Xe_(-)Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23746.8440228; Eh
thumbnail.jpeg13-Jul-20232-B10Cl9(CO)_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-4504.87722623; Eh
thumbnail.jpeg13-Jul-20232-B10Cl9(H2O)Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-4467.97087232; Eh
thumbnail.jpeg13-Jul-20232-B10Cl9(OC)_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-4504.80986313; Eh
Showing results 192865 to 192884 of 318057 < previous   next >