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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-20172_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDlanl2dz; 6-31+g(d)-2354.69754347; Eh
thumbnail.jpeg29-Sep-2017TSPAFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDlanl2dz; 6-31+g(d)-2856.21677656; Eh
thumbnail.jpeg21-Jun-2018/DMF_solvent 4a_dimer_DMFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDSDD; 6-31G(d)-3193.24580396; Eh
thumbnail.jpeg21-Jun-2018/THF_solvent 4a_dimer_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDSDD; 6-31G(d)-3193.24057977; Eh
thumbnail.jpeg21-Jun-2018/THF_solvent Bc-Ligand_THFMudarra, Ángel Luís; Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31G(d)-1112.00383035; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-I4m-I5mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1976.15000511; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-2m-I2xmFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-2207.92994501; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-4m-I4xmFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1976.14790213; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-I1m-2mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1899.57150345; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-1m-I1mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1899.57084332; Eh
Results 1-10 of 48 (Search time: 0.001 seconds).