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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Oct-2022A5transvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.9472365; Eh
thumbnail.jpeg26-Oct-2022TSS(A1_P_1B-A2_PP)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.7511835; Eh
thumbnail.jpeg26-Oct-2022TSS(A3A4)trans_(intoRh-Csp2)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.7940608; Eh
thumbnail.jpeg26-Oct-2022Product-cisvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ-1718.3710176; Eh
thumbnail.jpeg26-Oct-2022TS(A4A5)transvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.8423786; Eh
thumbnail.jpeg26-Oct-2022A1_PP_1Bvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.7951951; Eh
thumbnail.jpeg26-Oct-2022TSS(A1-A2_I)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5001.6429072; Eh
thumbnail.jpeg26-Oct-2022TSS(A1_P-A2_PP)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.7652605; Eh
thumbnail.jpeg26-Oct-2022TS(A1_PP_1D-A2)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-5534.7458879; Eh
thumbnail.jpeg26-Oct-2022TSS(A3A4)yne_(intoRh-Csp3)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDCC-PVTZ GEN-6067.9270123; Eh
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