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Showing results 249 to 268 of 4602 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Feb-2024A4Prim_Tosyldiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2998.93586375; Eh
thumbnail.jpeg26-Oct-2022A4transvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.8722465; Eh
Login required21-May-2019A5Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06L--1185.309328; Eh
thumbnail.jpeg27-Jul-2021A5vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.898057; Eh
Login required18-Oct-2023A5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.33799171; Eh
Login required27-Feb-2024A5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.33799171; Eh
Login required27-Feb-2024A5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.33799171; Eh
thumbnail.jpeg26-Oct-2022A5cisvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.9470055; Eh
Login required21-May-2019A5P_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5601183; Eh
Login required21-May-2019A5P_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5597806; Eh
Login required21-May-2019A5P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5646327; Eh
Login required21-May-2019A5P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5625529; Eh
thumbnail.jpeg26-Oct-2022A5transvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.9472365; Eh
thumbnail.jpeg27-Jul-2021A6vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.973381; Eh
Login required18-Oct-2023A6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.35402996; Eh
Login required27-Feb-2024A6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.35402996; Eh
Login required27-Feb-2024A6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.35402996; Eh
Login required10-Apr-2024A6_NEt3Cldiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.30407127; Eh
thumbnail.jpeg27-Jul-2021A6avila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.9528077; Eh
thumbnail.jpeg27-Jul-2021A6svila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.96443; Eh
Showing results 249 to 268 of 4602 < previous   next >