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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Oct-2022/template-3/int1 22_BFOAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.26160973; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 23_BFOAOAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.25727084; Eh
thumbnail.jpeg5-Oct-2022/template-3/int1 25_BOAOAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-2495.25433563; Eh
thumbnail.jpeg5-Oct-2022/template-3/int2 5_BBOAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3058.02950329; Eh
thumbnail.jpeg5-Oct-2022/template-3/int2 7_FBIAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3058.03966619; Eh
thumbnail.jpeg5-Oct-2022/template-3/int2 6_FBOAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3058.03590828; 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/Pd_Ag ts1-PdAg-(OAc)2-MPAAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN DEF2TZVPP-3665.5248553; Eh
thumbnail.jpeg5-Oct-2022/template-3/int5 int5_FFINIA_QRCFFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3403.19658484; Eh
thumbnail.jpeg5-Oct-2022/template-3/int6 int6_FFINIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3403.17315412; Eh
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