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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2017TS3c-d_primaFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-842.443092692; Eh
thumbnail.jpeg26-Jan-2017TS3c-dFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-918.408317249; Eh
thumbnail.jpeg26-Jan-2017TS1d-eFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-1331.38744399; Eh
Login required1-Apr-2022TSred-i9-hom2aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1902.83130297; Eh
Login required1-Apr-2022TSred-i7-hom1aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1218.14905895; Eh
Login required1-Apr-2022TSred-i8-hom2aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1562.28003119; Eh
Login required1-Apr-2022TSred-i13-hetSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1725.08128642; Eh
Login required1-Apr-2022TShabst1-2aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1504.86623560; Eh
Login required1-Apr-2022TSred-i9-hom1aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1547.12993880; Eh
Login required1-Apr-2022TSred-i7-hetSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1396.01184738; Eh
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