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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Oct-2022/template-3/ts2/amide-du 8Fernandez, GilbertoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15GEN-3403.15434578; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts2/amide-du 2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3403.15518209; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts2/amide-dd 1Fernandez, GilbertoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN15GEN-3403.16136129; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts4 ts4_FFINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3403.14206287; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts4 ts4_BFINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3403.14619510; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts4 ts4_FBONIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3403.14096255; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts3 ts3_FFINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3403.16122621; Eh
thumbnail.jpeg5-Oct-2022/template-3/no_MCP_strain ts1_noMCPFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-2498.94336907; Eh
thumbnail.jpeg5-Oct-2022/template-2/ts1_t2/c5 ts1_FBONIA_t2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-2859.85406954; Eh
thumbnail.jpeg5-Oct-2022/template-2/ts1_t2/c5 ts1_BBONIA_t2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-2859.85090079; Eh
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