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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH TSCMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1618.36590500; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH TSBMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1131.33849545; Eh
thumbnail.jpeg28-Dec-2020TS_Ob-transfer-CyH_(TS-3Bbeta)Solé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GEN-2127.07668228; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS1-inter-primaSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GEN-4559.91852974; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS1-interSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GEN-4559.91193548; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH TSAMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1618.35676855; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS2Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GEN-4559.91259897; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1cpin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-773.856760396; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 33pin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-1364.06403122; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1apin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-542.848414971; Eh
Results 51-60 of 126 (Search time: 0.001 seconds).