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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_C1A2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-3674.19607774; Eh
Login required21-May-2019TS_A3A4P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4296763; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ C6A8_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4048.13342533; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_C1A2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.5170916; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/SPE B6_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-4048.3663417; Eh
thumbnail.jpeg3-Oct-2019/ACET/SPE B7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-1839.2148759; Eh
Login required21-May-2019TS_A3A4P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4308984; Eh
thumbnail.jpeg3-Oct-2019TS_66_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--2785.21244452; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A53AA_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--1530.98246498; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A53AA_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06L--1531.1542308; Eh
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