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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Oct-2022/template-3/ts1/c2 ts1c2_FBONINFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN-3058.01943196; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts2/amide-dd ts2_FFONIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3403.17169416; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts3 ts3_FBONIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP GEN-3403.15823263; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 1_BFONONFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.25667514; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 2_FFONONFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.25737881; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 3_FFONIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.26321242; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 10_BBINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.27008179; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 5_BBONIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.26019356; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 7_FFONOAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.25477936; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 9_BBINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.27008178; Eh
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