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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required19-Aug-2022Glycothiohexidea_modifiedKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-4318.74962033; Eh
Login required19-Aug-2022NocathiacinI_modifiedKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-4675.79965951; Eh
Login required19-Aug-2022NocathiacinIKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-6470.23994643; Eh
Login required19-Aug-2022GlycothiohexideaKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-6472.05691970; Eh
thumbnail.jpeg4-Apr-2022D_p-TSKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-1006.06368753; Eh
thumbnail.jpeg4-Apr-2022D-TSKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-1404.12107474; Eh
thumbnail.jpeg4-Apr-2022K_pKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-875.814850300; Eh
thumbnail.jpeg4-Apr-2022KKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-1273.87566950; Eh
thumbnail.jpeg4-Apr-2022A_pKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-438.496083613; Eh
thumbnail.jpeg4-Apr-2022JKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-1671.92879761; Eh
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