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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2024A9diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.32948240; Eh
thumbnail.jpeg27-Feb-2024A8diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.30985174; Eh
thumbnail.jpeg27-Feb-2024A6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.35402996; Eh
thumbnail.jpeg27-Feb-2024A5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.33799171; Eh
thumbnail.jpeg27-Feb-2024A7diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ GEN-3060.32274784; Eh
thumbnail.jpeg27-Feb-2024A4_Externaldiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2846.51224360; Eh
thumbnail.jpeg27-Feb-2024A4_Tosyldiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2998.95836006; Eh
thumbnail.jpeg5-Jul-2024c60_X_complex_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-3471.60693949; Eh
thumbnail.jpeg5-Jul-2024c60_X_ts_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ-3471.58215441; Eh
thumbnail.jpeg5-Jul-20242a_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-3471.66402501; Eh
Results 441-450 of 691 (Search time: 0.001 seconds).