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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jul-2022min_RRBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUB3LYPDEF2SVP-4199.99006817; Eh
thumbnail.jpeg28-Jul-2022min_SSBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUB3LYPDEF2SVP-4199.99747376; Eh
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