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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Jun-2019/SPE TS_A3PPA4P_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5075446; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A53AA_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--1530.97978042; Eh
Login required21-May-2019TS_A3A4P_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4337095; Eh
Login required21-May-2019TS_A2A3PP_EXOArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4255626; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A4PA5P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5084893; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A53AA_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--1530.99018686; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A53AA_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--1530.99199300; Eh
Login required21-May-2019TS_A2A3Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.5741056; Eh
thumbnail.jpeg3-Oct-2019TS_56f_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--2785.22952927; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A4PA5P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-4020.16108755; Eh
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