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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Jul-2021TS1(A2PPA3)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4277.5587504; Eh
thumbnail.jpeg27-Jul-2021TS2(A2PPA3)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4277.5408631; Eh
thumbnail.jpeg27-Jul-2021TS2(A2PA3)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4277.5619015; Eh
thumbnail.jpeg27-Jul-2021TS1(A4A5)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.8452935; Eh
thumbnail.jpeg27-Jul-2021TS2(A4A5)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.829402; Eh
thumbnail.jpeg27-Jul-2021RhSegPhosvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-2559.0686704; Eh
thumbnail.jpeg27-Jul-2021TS(A6aA7)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.9339679; Eh
thumbnail.jpeg27-Jul-2021TS(A7PA8)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.9697973; Eh
thumbnail.jpeg27-Jul-2021TS(A8A9)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-4810.9721207; Eh
thumbnail.jpeg27-Jul-20211a_Bisallenevila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ-1185.2398541; Eh
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