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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Jul-202320_protonatedAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-226.429472351; Eh
thumbnail.jpeg27-Jul-202319_neutralAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-381.810743821; Eh
thumbnail.jpeg27-Jul-202322_neutralAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-562.113102316; Eh
thumbnail.jpeg27-Jul-20234_protonatedAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-290.111340482; Eh
thumbnail.jpeg27-Jul-202313_neutralAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-346.358367977; Eh
thumbnail.jpeg27-Jul-202323_neutralAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-326.533174367; Eh
thumbnail.jpeg27-Jul-20231_protonatedAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-368.636571150; Eh
thumbnail.jpeg28-Jul-2023lysine_mechanism_INT3Ahmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-2394.80198317; Eh
thumbnail.jpeg28-Jul-202315_neutralAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-232.158435889; Eh
thumbnail.jpeg28-Jul-202310_neutralAhmed, YusefGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2SVP-289.647076902; Eh
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