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Showing results 270 to 289 of 4602 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Oct-2023A7diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ GEN-3060.32274784; Eh
Login required27-Feb-2024A7diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ GEN-3060.32274784; Eh
Login required27-Feb-2024A7diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ GEN-3060.32274784; Eh
thumbnail.jpeg27-Jul-2021A7Pvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.9748291; Eh
thumbnail.jpeg27-Jul-2021A8vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.9868958; Eh
Login required18-Oct-2023A8diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ-1160.88436905; Eh
Login required27-Feb-2024A8diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.30985174; Eh
Login required27-Feb-2024A8diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.30985174; Eh
thumbnail.jpeg27-Jul-2021A9vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4811.0256028; Eh
Login required18-Oct-2023A9diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ-1160.90166426; Eh
Login required27-Feb-2024A9diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.32948240; Eh
Login required27-Feb-2024A9diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.32948240; Eh
Login required10-Apr-2024A9Primdiaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ-1160.90166426; Eh
Login required10-Apr-2024A9Prim_NEt3diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1453.36887125; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A1Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3757.18041472; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A2Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2720.74715354; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2798.09478919; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A3PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-2798.09392815; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A3PA4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-2798.07086484; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2798.14319775; Eh
Showing results 270 to 289 of 4602 < previous   next >