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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019PRODUCT_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point TSUB3LYP--2785.25268520; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56f_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point MinimumUB3LYP--2785.28238905; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56f_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.28167712; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_66_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.26288383; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_66_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.26422697; Eh
Login required22-Oct-2020PRODUCT_C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3471.3511626; Eh
thumbnail.jpeg22-Oct-2020PRODUCT_C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3471.3511626; Eh
Login required22-Oct-2020PRODUCT_C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3471.3511626; Eh
Login required22-Oct-2020PRODUCT_C70_alphaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4788302; Eh
thumbnail.jpeg22-Oct-2020PRODUCT_C70_alphaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4788302; Eh
Login required22-Oct-2020PRODUCT_C70_alphaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4788302; Eh
Login required22-Oct-2020PRODUCT_C70_alpha_bisArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4775485; Eh
thumbnail.jpeg22-Oct-2020PRODUCT_C70_alpha_bisArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4775485; Eh
Login required22-Oct-2020PRODUCT_C70_alpha_bisArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4775485; Eh
Login required22-Oct-2020PRODUCT_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4741573; Eh
thumbnail.jpeg22-Oct-2020PRODUCT_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4741573; Eh
Login required22-Oct-2020PRODUCT_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4741573; Eh
Login required3-Jan-2023/protected_IQ-Me/protected_IQ-Me_general_paper/ACN-M06-2X_6-311g(d,p) DHI-Me_S0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-1325.20473245; Eh
Login required3-Jan-2023/protected_IQ-Me/protected_IQ-Me_general_paper/ACN-M06-2X_6-311g(d,p) IQ-Me_S0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-1323.95248295; Eh
Login required3-Jan-2023/protected_IQ-Me/protected_IQ-Me_general_paper/ACN-M06-2X_6-311g(d,p) SQ-Me_D0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM062X6-311G(D,P)-1324.57632863; Eh