Browsing by Author Artigas, Albert

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/C60ACET/SPE PPH3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-1036.4229173; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/SPE PRODUCTArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-2441.4170273; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/SPE PRODUCT_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-2441.392158; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/SPE WILKINSONArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-3679.9782436; Eh
thumbnail.jpeg3-Oct-2019C68_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2591.11753126; 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.jpeg3-Oct-2019CYCLOPENTADIENEArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYP--194.115117243; 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.jpeg3-Oct-2019I1_55_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.24144297; Eh
thumbnail.jpeg3-Oct-2019I1_55_TripletArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.24377038; Eh
thumbnail.jpeg3-Oct-2019I1_56d_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.23964694; Eh
thumbnail.jpeg3-Oct-2019I1_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.24241478; Eh
thumbnail.jpeg3-Oct-2019I1_66_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.23889656; Eh
thumbnail.jpeg3-Oct-2019I1_66_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.24164119; Eh
thumbnail.jpeg3-Oct-2019I2_55_Singlet_Open_ShellArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.25534942; Eh
thumbnail.jpeg3-Oct-2019I2_55_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.25534654; Eh