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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jul-2023lysine_mechanism_TS1Ahmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062XDEF2SVP-2394.74465236; Eh
thumbnail.jpeg28-Jul-2023no_lysine_mechanism_TS2Ahmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062XDEF2SVP-1898.24586762; Eh
thumbnail.jpeg27-Jul-2023mechanism1_TS2Ahmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062XDEF2SVP-1898.24586762; Eh
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