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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ C6_56Artigas, AlbertGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4048.17080257; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/SPE B6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-4048.3915702; Eh
thumbnail.jpeg3-Oct-2019/ACET/SPE B6B7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-1839.20243; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A4PA5P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-4020.16364419; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A4PA5P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5206297; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A3PPA4P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5277898; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A4A5P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4625117; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A3A4P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4296763; Eh
thumbnail.jpeg12-Jun-2019/SPE TS_A3A4P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4308984; Eh
Login required21-May-2019A5P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.5625529; Eh
Results 11-20 of 505 (Search time: 0.0 seconds).