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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Mar-2023RadicalA_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUmPW1PW916-31+G(D,P)-780.579682444; Eh
thumbnail.jpeg8-Mar-2023Radical13HshiftTS_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUmPW1PW916-31+G(D,P)-780.485381665; Eh
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