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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Dec-20212g_(from_endo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.8159023; Eh
thumbnail.jpeg15-Dec-20212g_(from_exo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.8159023; Eh
Login required22-Oct-2020C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2286.1876382; Eh
Login required22-Oct-2020C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2286.1876382; Eh
thumbnail.jpeg22-Oct-2020C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2286.1876382; Eh
Login required22-Oct-2020C70Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2667.3123052; Eh
Login required22-Oct-2020C70Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2667.3123052; Eh
thumbnail.jpeg22-Oct-2020C70Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2667.3123052; Eh
thumbnail.jpeg15-Dec-2021cHTvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-884.8796806; Eh
thumbnail.jpeg15-Dec-2021cHT_anion_npavila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-884.9289027; Eh
thumbnail.jpeg15-Dec-2021cHT_cation_npavila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-884.6521004; Eh
thumbnail.jpeg15-Dec-2021cHT_npavila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-884.8796806; Eh
Login required22-Oct-2020DIENEArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-1185.1069132; Eh
Login required22-Oct-2020DIENEArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-1185.1069132; Eh
thumbnail.jpeg22-Oct-2020DIENEArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-1185.1069132; Eh
thumbnail.jpeg15-Dec-2021int(2Aendo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7641779; Eh
thumbnail.jpeg15-Dec-2021int(2Aexo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7628332; 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