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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Jul-2022isomerization_RC_CF3Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM06LDEF2SVP-2706.84879694; Eh
thumbnail.jpeg5-Jul-20222b_reactant_complexBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM06LDEF2SVP-2470.68959992; Eh
thumbnail.jpeg5-Jul-20222a-RCBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM06LDEF2SVP-2470.68824498; Eh
thumbnail.jpeg5-Jul-2022isomerization_reactant_complex_OMeBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM06LDEF2SVP-2484.53538139; Eh
thumbnail.jpeg5-Jul-20222b_productBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP-2470.70149987; Eh
thumbnail.jpeg5-Jul-20222a_productBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP-2470.71783301; Eh
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