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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Oct-2022/template-3/int1 11_BFOAONFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.25606592; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 12_BBOAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.25906277; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 15_BFOAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.26060028; Eh
thumbnail.jpeg5-Oct-2022/template-3/int2 11_FFONIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3058.03281232; Eh
thumbnail.jpeg5-Oct-2022/template-3/int2 13_FFINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3058.02788000; Eh
thumbnail.jpeg5-Oct-2022/template-3/int2 12_BFINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3058.03378167; Eh
thumbnail.jpeg5-Oct-2022/template-3/int2 8_BFONIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3058.03113489; Eh
thumbnail.jpeg5-Oct-2022/template-3/int2 10_BFOAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Single point MinimumRMN15GEN-3058.03020857; Eh
thumbnail.jpeg5-Oct-2022/template-3/int2 9_FBINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Single point StructureRMN15GEN-3058.03037330; Eh
thumbnail.jpeg5-Oct-2022/template-3/no_MCP_strain ts1_noMCPFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-2498.94336907; Eh
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