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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-May-2019C1Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.6030123; Eh
Login required18-Oct-2023C1diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.79457540; Eh
thumbnail.jpeg17-Aug-2022C2_t_C7Br7+3_BLYPEscayola, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUBLYP6-311+G(D,P)-18284.3770665; Eh
thumbnail.jpeg17-Jan-2020c2DD_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020c2DD_optSwart, MarcelADF; 2017Geometry optimization QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020c2DU_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020c2DU_optSwart, MarcelADF; 2017Geometry optimization QuildDFTTZ2P-
thumbnail.jpeg18-Oct-2022c2h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-76.8252099; Eh
thumbnail.jpeg19-Oct-2022c2h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-76.8252099; Eh
thumbnail.jpeg13-Feb-2023c2h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-76.8252099; Eh
thumbnail.jpeg13-Feb-2023c2h4Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-79.2368593; Eh
thumbnail.jpeg18-Oct-2022c2h6Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-79.2368593; Eh
thumbnail.jpeg19-Oct-2022c2h6Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-79.2368593; Eh
thumbnail.jpeg17-Jan-2020c3_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020c3_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg18-Oct-2022c3h8Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-118.2756736; Eh
thumbnail.jpeg19-Oct-2022c3h8Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-118.2756736; Eh
thumbnail.jpeg13-Feb-2023c3h8Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-118.2756736; Eh
thumbnail.jpeg18-Oct-2022c4h10Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-157.3143395; Eh
thumbnail.jpeg19-Oct-2022c4h10Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-157.3143395; Eh