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Showing results 262 to 281 of 4618 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg27-Feb-2024A6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.35402996; Eh
thumbnail.jpeg27-Feb-2024A6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.35402996; Eh
thumbnail.jpeg10-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
thumbnail.jpeg27-Jul-2021A7vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.969179; Eh
Login required18-Oct-2023A7diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ GEN-3060.32274784; Eh
thumbnail.jpeg27-Feb-2024A7diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ GEN-3060.32274784; Eh
thumbnail.jpeg27-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
thumbnail.jpeg27-Feb-2024A8diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.30985174; Eh
thumbnail.jpeg27-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
thumbnail.jpeg27-Feb-2024A9diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.32948240; Eh
thumbnail.jpeg27-Feb-2024A9diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.32948240; Eh
Showing results 262 to 281 of 4618 < previous   next >