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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Jun-2019/OPTFREQ A4P_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYPcc-pVDZ-4020.16821017; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ A5P_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYPcc-pVDZ-4020.20205663; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ A5P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYPcc-pVDZ-4020.20483232; Eh
thumbnail.jpeg12-Jun-2019/SPE A1Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.5569707; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ PRODUCT_4AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYP--1185.18364791; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ A5P_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYPcc-pVDZ-4020.20293504; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ A4P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYPcc-pVDZ-4020.18754483; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ A3Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYPcc-pVDZ-3674.28198236; Eh
thumbnail.jpeg12-Jun-2019/SPE A3PArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.5760916; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ A4P_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYPcc-pVDZ-4020.17690076; Eh
Results 81-90 of 96 (Search time: 0.001 seconds).