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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Mar-2021Na2-PMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2540.71005946; Eh
thumbnail.jpeg19-Mar-2021Na2-I2Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.59398721; Eh
thumbnail.jpeg19-Mar-2021Na2-TSMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.57637927; Eh
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