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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Jun-2019/SPE TS_A3PPA4P_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5092524; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A4A5P_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4658307; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A53AA_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06L--1531.1485298; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A3PPA4P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.513286; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A4A5P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4668162; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A53AA_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06L--1531.1635467; Eh
Login required21-May-2019PRODUCT_4AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06L--1185.3120056; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B6PA7P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.66256173; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ C60Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYP--2286.42777924; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A3A4P_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4322716; Eh
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