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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-20242adiaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1159.73333889; Eh
thumbnail.jpeg27-Feb-2024TSA1A2diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2767.79161163; Eh
thumbnail.jpeg27-Feb-2024TSA3A4diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ GEN-2767.83072965; Eh
thumbnail.jpeg27-Feb-2024PPh3diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ-1036.38610875; Eh
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