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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_cis_lactoneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPGENECP-4547.78535246; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_CA_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSUB3LYPGENECP-4547.70286054; Eh
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