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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 12_FFONIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3058.01696250; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 66_FFIAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP GEN-3058.02336799; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 1_FFIAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15DEF2SVP GEN-3058.02137764; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 ts1c4_c5_BFOAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3058.01500045; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 61_FFIAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3058.02155313; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 ts1c4_c7_BBONIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3058.01483553; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 13_crest_TS_Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3058.02097525; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 ts1c4_FBONINFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3058.01566163; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 ts1c4_BBINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3058.02228157; Eh
thumbnail.jpeg5-Oct-2022/template-3/ts1/c4 ts1c4_FBIAINFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-3058.02296585; Eh
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