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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Oct-2022/template-1/ts1/c2 ts1c2_FBONIN_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN DEF2TZVPP-2784.4799596; Eh
thumbnail.jpeg5-Oct-2022/template-1/ts1/c3 ts1c3_FBININ_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN-2781.39426403; Eh
thumbnail.jpeg5-Oct-2022/template-1/ts1/c6 ts1c6_FBIAIA_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN-2781.40479464; Eh
thumbnail.jpeg5-Oct-2022/template-1/ts1/c4 ts1c4_BFINIA_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN-2781.39556363; Eh
thumbnail.jpeg5-Oct-2022/template-1/ts1/c4 ts1c4_FBIAIN_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN-2781.39483894; Eh
thumbnail.jpeg5-Oct-2022/template-1/ts1/c3 ts1c3_BFOAIA_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN-2781.40141296; Eh
thumbnail.jpeg5-Oct-2022/template-1/ts1/c7 ts1c6_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN-2781.39301891; 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_c1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN DEF2TZVPP-3407.0536373; Eh
thumbnail.jpeg5-Oct-2022/template-1/int1 6_FFOAIAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN DEF2TZVPP-2221.1774849; Eh
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